 Entering Gaussian System, Link 0=g16
 Input=27_methylindane_Chair_STD_M11-augccpVDZr.in
 Output=27_methylindane_Chair_STD_M11-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/27_methylindane_Chair_STD/Gau-18640.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/27_methylindane_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     18641.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=27_methylindane_Chair_STD_M11-augccpVDZr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 20:43:30 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "27_methylindane_Chair_STD_M11-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -2.295974000000     -1.028853000000     -0.128687000000
  C                                                -2.606029000000      0.291875000000      0.183416000000
  C                                                -0.973478000000     -1.409110000000     -0.342457000000
  C                                                 0.029531000000     -0.455263000000     -0.247794000000
  C                                                -0.281499000000      0.868664000000      0.064239000000
  C                                                -1.598106000000      1.247679000000      0.283733000000
  C                                                 1.523670000000     -0.639314000000     -0.396640000000
  C                                                 2.019669000000      0.816964000000     -0.580832000000
  C                                                 0.972315000000      1.705463000000      0.125740000000
  H                                                -3.088043000000     -1.762337000000     -0.209833000000
  H                                                -3.637708000000      0.578196000000      0.343549000000
  H                                                -0.735344000000     -2.437795000000     -0.586593000000
  H                                                -1.844116000000      2.275439000000      0.523140000000
  H                                                 1.760590000000     -1.243210000000     -1.276257000000
  C                                                 2.130571000000     -1.320158000000      0.835970000000
  H                                                 2.034988000000      1.060247000000     -1.645001000000
  H                                                 3.029412000000      0.962676000000     -0.195614000000
  H                                                 0.857874000000      2.679448000000     -0.352616000000
  H                                                 1.250132000000      1.896413000000      1.167459000000
  H                                                 1.938821000000     -0.733184000000      1.737056000000
  H                                                 3.211182000000     -1.433117000000      0.725825000000
  H                                                 1.698191000000     -2.310454000000      0.988755000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1
 NAtoms=     22 NQM=       22 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1          12           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           0           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22
 IAtWgt=           1           1
 AtmWgt=   1.0078250   1.0078250
 NucSpn=           1           1
 AtZEff=   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul  8 20:43:30 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.295974   -1.028853   -0.128687
      2          6           0       -2.606029    0.291875    0.183416
      3          6           0       -0.973478   -1.409110   -0.342457
      4          6           0        0.029531   -0.455263   -0.247794
      5          6           0       -0.281499    0.868664    0.064239
      6          6           0       -1.598106    1.247679    0.283733
      7          6           0        1.523670   -0.639314   -0.396640
      8          6           0        2.019669    0.816964   -0.580832
      9          6           0        0.972315    1.705463    0.125740
     10          1           0       -3.088043   -1.762337   -0.209833
     11          1           0       -3.637708    0.578196    0.343549
     12          1           0       -0.735344   -2.437795   -0.586593
     13          1           0       -1.844116    2.275439    0.523140
     14          1           0        1.760590   -1.243210   -1.276257
     15          6           0        2.130571   -1.320158    0.835970
     16          1           0        2.034988    1.060247   -1.645001
     17          1           0        3.029412    0.962676   -0.195614
     18          1           0        0.857874    2.679448   -0.352616
     19          1           0        1.250132    1.896413    1.167459
     20          1           0        1.938821   -0.733184    1.737056
     21          1           0        3.211182   -1.433117    0.725825
     22          1           0        1.698191   -2.310454    0.988755
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.392072   0.000000
     3  C    1.392583   2.415598   0.000000
     4  C    2.398159   2.773145   1.387376   0.000000
     5  C    2.774149   2.397984   2.415055   1.395309   0.000000
     6  C    2.416549   1.392671   2.800143   2.414898   1.387546
     7  C    3.848795   4.272937   2.613670   1.512773   2.396882
     8  C    4.715533   4.717719   3.737801   2.385398   2.390432
     9  C    4.268832   3.847870   3.702146   2.386861   1.508663
    10  H    1.082570   2.146339   2.147963   3.380703   3.856679
    11  H    2.146128   1.082582   3.393834   3.855693   3.380314
    12  H    2.151827   3.397569   1.083745   2.151802   3.400328
    13  H    3.398147   2.151848   3.883706   3.400239   2.152064
    14  H    4.221206   4.853297   2.893896   2.162212   3.229097
    15  C    4.539793   5.045776   3.321404   2.517331   3.347326
    16  H    5.041902   5.047033   4.104292   2.875903   2.885189
    17  H    5.685983   5.687867   4.655111   3.318518   3.322423
    18  H    4.873233   4.241045   4.479984   3.244003   2.179651
    19  H    4.776195   4.291021   4.260372   3.003862   2.149245
    20  H    4.637015   4.911233   3.641804   2.768078   3.208435
    21  H    5.587700   6.091777   4.318933   3.468002   4.234939
    22  H    4.341029   5.093819   3.118070   2.784818   3.857550
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.710679   0.000000
     8  C    3.744501   1.549415   0.000000
     9  C    2.615644   2.464722   1.544547   0.000000
    10  H    3.394660   4.750155   5.734035   5.350211   0.000000
    11  H    2.147501   5.354441   5.737369   4.750840   2.467075
    12  H    3.883883   2.893745   4.264222   4.537632   2.476567
    13  H    1.083572   4.547941   4.274896   2.900876   4.288151
    14  H    4.463063   1.092954   2.189761   3.358816   4.991592
    15  C    4.560897   1.533364   2.566499   3.316680   5.340708
    16  H    4.117586   2.169875   1.091731   2.163585   6.022635
    17  H    4.661000   2.207723   1.090507   2.210577   6.696951
    18  H    2.913201   3.385174   2.206966   1.091132   5.943072
    19  H    3.051932   2.991846   2.194064   1.094908   5.839790
    20  H    4.306486   2.175734   2.789642   3.078550   5.488068
    21  H    5.523709   2.176637   2.861804   3.901706   6.376839
    22  H    4.901320   2.177725   3.513929   4.171244   4.964381
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.287783   0.000000
    13  H    2.475855   4.967440   0.000000
    14  H    5.923083   2.851729   5.349077   0.000000
    15  C    6.092558   3.389140   5.368828   2.145766   0.000000
    16  H    6.030438   4.585986   4.607057   2.348868   3.439576
    17  H    6.699926   5.088168   5.098159   2.764712   2.661468
    18  H    5.011004   5.364631   2.868958   4.129801   4.362263
    19  H    5.129084   5.079781   3.183265   4.011178   3.351326
    20  H    5.895698   3.931438   4.983575   3.061364   1.092366
    21  H    7.148343   4.278655   6.272998   2.479640   1.092068
    22  H    6.101836   2.901729   5.813360   2.504632   1.091321
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.760432   0.000000
    18  H    2.382786   2.772640   0.000000
    19  H    3.037286   2.428100   1.754320   0.000000
    20  H    3.829354   2.792945   4.145025   2.777321   0.000000
    21  H    3.636085   2.573308   4.859453   3.889284   1.769575
    22  H    4.290889   3.726695   5.234934   4.234433   1.762282
                   21         22
    21  H    0.000000
    22  H    1.768614   0.000000
 Stoichiometry    C10H12
 Framework group  C1[X(C10H12)]
 Deg. of freedom    60
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 9.03D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.295974   -1.028853   -0.128687
      2          6           0       -2.606029    0.291875    0.183416
      3          6           0       -0.973478   -1.409110   -0.342457
      4          6           0        0.029531   -0.455263   -0.247794
      5          6           0       -0.281499    0.868664    0.064239
      6          6           0       -1.598106    1.247679    0.283733
      7          6           0        1.523670   -0.639314   -0.396640
      8          6           0        2.019669    0.816964   -0.580832
      9          6           0        0.972315    1.705463    0.125740
     10          1           0       -3.088043   -1.762337   -0.209833
     11          1           0       -3.637708    0.578196    0.343549
     12          1           0       -0.735344   -2.437795   -0.586593
     13          1           0       -1.844116    2.275439    0.523140
     14          1           0        1.760590   -1.243210   -1.276257
     15          6           0        2.130571   -1.320158    0.835970
     16          1           0        2.034988    1.060247   -1.645001
     17          1           0        3.029412    0.962676   -0.195614
     18          1           0        0.857874    2.679448   -0.352616
     19          1           0        1.250132    1.896413    1.167459
     20          1           0        1.938821   -0.733184    1.737056
     21          1           0        3.211182   -1.433117    0.725825
     22          1           0        1.698191   -2.310454    0.988755
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4876774           1.1963393           0.8919853
 Leave Link  202 at Thu Jul  8 20:43:31 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     16     17     18     19     20
 Centers:      21     22
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     15
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 376 were deleted.
 There are   358 symmetry adapted cartesian basis functions of A   symmetry.
 There are   338 symmetry adapted basis functions of A   symmetry.
   338 basis functions,   614 primitive gaussians,   358 cartesian basis functions
    36 alpha electrons       36 beta electrons
       nuclear repulsion energy       505.9870942501 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   22 NActive=   22 NUniq=   22 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Jul  8 20:43:33 2021, MaxMem= 10737418240 cpu:              33.8 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   338 RedAO= T EigKep=  1.49D-06  NBF=   338
 NBsUse=   338 1.00D-06 EigRej= -1.00D+00 NBFU=   338
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   358   358   358   358   358 MxSgAt=    22 MxSgA2=    22.
 Leave Link  302 at Thu Jul  8 20:43:34 2021, MaxMem= 10737418240 cpu:               9.0 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 20:43:34 2021, MaxMem= 10737418240 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "27_methylindane_Chair_STD_M11-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 20:43:35 2021, MaxMem= 10737418240 cpu:               9.3 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737152694 LenY= 10737024089
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -388.064686240611    
 DIIS: error= 3.78D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -388.064686240611     IErMin= 1 ErrMin= 3.78D-03
 ErrMax= 3.78D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.97D-03 BMatP= 9.97D-03
 IDIUse=3 WtCom= 9.62D-01 WtEn= 3.78D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.391 Goal=   None    Shift=    0.000
 GapD=    0.391 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.76D-02 MaxDP=5.81D+00              OVMax= 1.54D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.28D-02    CP:  2.15D+00
 E= -388.074464106974     Delta-E=       -0.009777866363 Rises=F Damp=F
 DIIS: error= 3.77D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -388.074464106974     IErMin= 2 ErrMin= 3.77D-04
 ErrMax= 3.77D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.80D-04 BMatP= 9.97D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.77D-03
 Coeff-Com: -0.634D-01 0.106D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.632D-01 0.106D+01
 Gap=     0.317 Goal=   None    Shift=    0.000
 RMSDP=1.81D-02 MaxDP=1.27D+00 DE=-9.78D-03 OVMax= 3.65D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.77D-03    CP:  2.38D+00  1.21D+00
 E= -388.074725714475     Delta-E=       -0.000261607501 Rises=F Damp=F
 DIIS: error= 1.80D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -388.074725714475     IErMin= 3 ErrMin= 1.80D-04
 ErrMax= 1.80D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.16D-05 BMatP= 1.80D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.80D-03
 Coeff-Com: -0.275D-01 0.268D+00 0.759D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.274D-01 0.268D+00 0.760D+00
 Gap=     0.319 Goal=   None    Shift=    0.000
 RMSDP=1.52D-03 MaxDP=1.01D-01 DE=-2.62D-04 OVMax= 1.50D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.57D-04    CP:  2.40D+00  1.23D+00  1.11D+00
 E= -388.074757521604     Delta-E=       -0.000031807129 Rises=F Damp=F
 DIIS: error= 7.93D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -388.074757521604     IErMin= 4 ErrMin= 7.93D-05
 ErrMax= 7.93D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.30D-06 BMatP= 3.16D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.151D-02-0.448D-01 0.244D+00 0.802D+00
 Coeff:     -0.151D-02-0.448D-01 0.244D+00 0.802D+00
 Gap=     0.318 Goal=   None    Shift=    0.000
 RMSDP=3.83D-04 MaxDP=2.63D-02 DE=-3.18D-05 OVMax= 8.79D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.43D-04    CP:  2.40D+00  1.23D+00  1.16D+00  1.03D+00
 E= -388.074763258835     Delta-E=       -0.000005737231 Rises=F Damp=F
 DIIS: error= 2.59D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -388.074763258835     IErMin= 5 ErrMin= 2.59D-05
 ErrMax= 2.59D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.24D-07 BMatP= 5.30D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.173D-02-0.408D-01 0.377D-01 0.322D+00 0.679D+00
 Coeff:      0.173D-02-0.408D-01 0.377D-01 0.322D+00 0.679D+00
 Gap=     0.318 Goal=   None    Shift=    0.000
 RMSDP=7.05D-05 MaxDP=2.54D-03 DE=-5.74D-06 OVMax= 2.78D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.92D-05    CP:  2.40D+00  1.23D+00  1.17D+00  1.15D+00  1.13D+00
 E= -388.074763924077     Delta-E=       -0.000000665243 Rises=F Damp=F
 DIIS: error= 7.40D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -388.074763924077     IErMin= 6 ErrMin= 7.40D-06
 ErrMax= 7.40D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.48D-08 BMatP= 6.24D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.554D-03-0.521D-02-0.158D-01-0.863D-03 0.182D+00 0.840D+00
 Coeff:      0.554D-03-0.521D-02-0.158D-01-0.863D-03 0.182D+00 0.840D+00
 Gap=     0.318 Goal=   None    Shift=    0.000
 RMSDP=1.96D-05 MaxDP=1.12D-03 DE=-6.65D-07 OVMax= 1.08D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  8.40D-06    CP:  2.40D+00  1.23D+00  1.17D+00  1.17D+00  1.18D+00
                    CP:  1.04D+00
 E= -388.074763976693     Delta-E=       -0.000000052616 Rises=F Damp=F
 DIIS: error= 1.38D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -388.074763976693     IErMin= 7 ErrMin= 1.38D-06
 ErrMax= 1.38D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.65D-09 BMatP= 3.48D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.742D-05 0.183D-02-0.630D-02-0.238D-01-0.187D-01 0.181D+00
 Coeff-Com:  0.866D+00
 Coeff:     -0.742D-05 0.183D-02-0.630D-02-0.238D-01-0.187D-01 0.181D+00
 Coeff:      0.866D+00
 Gap=     0.318 Goal=   None    Shift=    0.000
 RMSDP=7.33D-06 MaxDP=4.55D-04 DE=-5.26D-08 OVMax= 2.55D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.25D-06    CP:  2.40D+00  1.23D+00  1.17D+00  1.17D+00  1.19D+00
                    CP:  1.08D+00  1.16D+00
 E= -388.074763980905     Delta-E=       -0.000000004212 Rises=F Damp=F
 DIIS: error= 6.35D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -388.074763980905     IErMin= 8 ErrMin= 6.35D-07
 ErrMax= 6.35D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.32D-10 BMatP= 2.65D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.630D-04 0.124D-02-0.791D-03-0.873D-02-0.292D-01-0.232D-01
 Coeff-Com:  0.308D+00 0.753D+00
 Coeff:     -0.630D-04 0.124D-02-0.791D-03-0.873D-02-0.292D-01-0.232D-01
 Coeff:      0.308D+00 0.753D+00
 Gap=     0.318 Goal=   None    Shift=    0.000
 RMSDP=1.92D-06 MaxDP=6.39D-05 DE=-4.21D-09 OVMax= 1.38D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.36D-07    CP:  2.40D+00  1.23D+00  1.17D+00  1.18D+00  1.20D+00
                    CP:  1.10D+00  1.23D+00  1.14D+00
 E= -388.074763981733     Delta-E=       -0.000000000828 Rises=F Damp=F
 DIIS: error= 2.50D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -388.074763981733     IErMin= 9 ErrMin= 2.50D-07
 ErrMax= 2.50D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.52D-11 BMatP= 4.32D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.518D-05-0.254D-03 0.567D-03 0.324D-02 0.277D-02-0.139D-01
 Coeff-Com: -0.108D+00-0.494D-01 0.117D+01
 Coeff:      0.518D-05-0.254D-03 0.567D-03 0.324D-02 0.277D-02-0.139D-01
 Coeff:     -0.108D+00-0.494D-01 0.117D+01
 Gap=     0.318 Goal=   None    Shift=    0.000
 RMSDP=2.21D-06 MaxDP=1.57D-04 DE=-8.28D-10 OVMax= 8.38D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.22D-07    CP:  2.40D+00  1.23D+00  1.17D+00  1.18D+00  1.20D+00
                    CP:  1.10D+00  1.28D+00  1.30D+00  1.26D+00
 E= -388.074763981892     Delta-E=       -0.000000000159 Rises=F Damp=F
 DIIS: error= 1.14D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -388.074763981892     IErMin=10 ErrMin= 1.14D-07
 ErrMax= 1.14D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.49D-12 BMatP= 2.52D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.698D-05-0.171D-03 0.193D-03 0.158D-02 0.331D-02 0.214D-03
 Coeff-Com: -0.513D-01-0.845D-01 0.230D+00 0.901D+00
 Coeff:      0.698D-05-0.171D-03 0.193D-03 0.158D-02 0.331D-02 0.214D-03
 Coeff:     -0.513D-01-0.845D-01 0.230D+00 0.901D+00
 Gap=     0.318 Goal=   None    Shift=    0.000
 RMSDP=4.07D-07 MaxDP=2.68D-05 DE=-1.59D-10 OVMax= 3.15D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.33D-07    CP:  2.40D+00  1.23D+00  1.17D+00  1.18D+00  1.20D+00
                    CP:  1.10D+00  1.29D+00  1.33D+00  1.36D+00  1.33D+00
 E= -388.074763981910     Delta-E=       -0.000000000017 Rises=F Damp=F
 DIIS: error= 5.90D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -388.074763981910     IErMin=11 ErrMin= 5.90D-08
 ErrMax= 5.90D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.67D-13 BMatP= 4.49D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.323D-07 0.321D-04-0.113D-03-0.554D-03-0.180D-03 0.363D-02
 Coeff-Com:  0.188D-01-0.389D-02-0.262D+00 0.114D+00 0.113D+01
 Coeff:      0.323D-07 0.321D-04-0.113D-03-0.554D-03-0.180D-03 0.363D-02
 Coeff:      0.188D-01-0.389D-02-0.262D+00 0.114D+00 0.113D+01
 Gap=     0.318 Goal=   None    Shift=    0.000
 RMSDP=1.86D-07 MaxDP=7.14D-06 DE=-1.72D-11 OVMax= 2.22D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  6.53D-08    CP:  2.40D+00  1.23D+00  1.17D+00  1.18D+00  1.20D+00
                    CP:  1.10D+00  1.29D+00  1.35D+00  1.42D+00  1.61D+00
                    CP:  1.73D+00
 E= -388.074763981872     Delta-E=        0.000000000037 Rises=F Damp=F
 DIIS: error= 1.44D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -388.074763981910     IErMin=12 ErrMin= 1.44D-08
 ErrMax= 1.44D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.72D-14 BMatP= 9.67D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.106D-05 0.300D-04-0.421D-04-0.310D-03-0.495D-03 0.427D-03
 Coeff-Com:  0.105D-01 0.114D-01-0.696D-01-0.115D+00 0.181D+00 0.982D+00
 Coeff:     -0.106D-05 0.300D-04-0.421D-04-0.310D-03-0.495D-03 0.427D-03
 Coeff:      0.105D-01 0.114D-01-0.696D-01-0.115D+00 0.181D+00 0.982D+00
 Gap=     0.318 Goal=   None    Shift=    0.000
 RMSDP=9.14D-08 MaxDP=6.45D-06 DE= 3.72D-11 OVMax= 6.06D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.42D-08    CP:  2.40D+00  1.23D+00  1.17D+00  1.18D+00  1.20D+00
                    CP:  1.10D+00  1.30D+00  1.35D+00  1.42D+00  1.65D+00
                    CP:  2.00D+00  1.28D+00
 E= -388.074763981953     Delta-E=       -0.000000000081 Rises=F Damp=F
 DIIS: error= 4.60D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -388.074763981953     IErMin=13 ErrMin= 4.60D-09
 ErrMax= 4.60D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-14 BMatP= 9.72D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.215D-06 0.364D-05 0.788D-07-0.222D-04-0.785D-04-0.251D-03
 Coeff-Com:  0.732D-03 0.260D-02 0.709D-02-0.366D-01-0.534D-01 0.226D+00
 Coeff-Com:  0.854D+00
 Coeff:     -0.215D-06 0.364D-05 0.788D-07-0.222D-04-0.785D-04-0.251D-03
 Coeff:      0.732D-03 0.260D-02 0.709D-02-0.366D-01-0.534D-01 0.226D+00
 Coeff:      0.854D+00
 Gap=     0.318 Goal=   None    Shift=    0.000
 RMSDP=2.21D-08 MaxDP=1.65D-06 DE=-8.06D-11 OVMax= 1.42D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  5.84D-09    CP:  2.40D+00  1.23D+00  1.17D+00  1.18D+00  1.20D+00
                    CP:  1.10D+00  1.30D+00  1.35D+00  1.42D+00  1.64D+00
                    CP:  2.05D+00  1.35D+00  1.23D+00
 E= -388.074763981870     Delta-E=        0.000000000084 Rises=F Damp=F
 DIIS: error= 2.37D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=13 EnMin= -388.074763981953     IErMin=14 ErrMin= 2.37D-09
 ErrMax= 2.37D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.08D-15 BMatP= 1.24D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.125D-06-0.438D-05 0.809D-05 0.499D-04 0.704D-04-0.194D-03
 Coeff-Com: -0.169D-02-0.122D-02 0.158D-01 0.698D-02-0.537D-01-0.102D+00
 Coeff-Com:  0.330D+00 0.806D+00
 Coeff:      0.125D-06-0.438D-05 0.809D-05 0.499D-04 0.704D-04-0.194D-03
 Coeff:     -0.169D-02-0.122D-02 0.158D-01 0.698D-02-0.537D-01-0.102D+00
 Coeff:      0.330D+00 0.806D+00
 Gap=     0.318 Goal=   None    Shift=    0.000
 RMSDP=7.68D-09 MaxDP=6.57D-07 DE= 8.36D-11 OVMax= 5.29D-08

 SCF Done:  E(RM11) =  -388.074763982     A.U. after   14 cycles
            NFock= 14  Conv=0.77D-08     -V/T= 2.0063
 KE= 3.856403293375D+02 PE=-1.910899329079D+03 EE= 6.311971415097D+02
 Leave Link  502 at Thu Jul  8 20:47:55 2021, MaxMem= 10737418240 cpu:            4136.7 elap:             259.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   338
 NBasis=   338 NAE=    36 NBE=    36 NFC=     0 NFV=     0
 NROrb=    338 NOA=    36 NOB=    36 NVA=   302 NVB=   302

 **** Warning!!: The largest alpha MO coefficient is  0.13327330D+03

 Leave Link  801 at Thu Jul  8 20:47:55 2021, MaxMem= 10737418240 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6795 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          22
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.81D-13 8.33D-09 XBig12= 1.00D+00 3.08D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.81D-13 8.33D-09 XBig12= 1.85D-01 6.09D-02.
     11 vectors produced by pass  2 Test12= 1.81D-13 8.33D-09 XBig12= 2.98D-02 4.72D-02.
     11 vectors produced by pass  3 Test12= 1.81D-13 8.33D-09 XBig12= 2.88D-03 1.17D-02.
     11 vectors produced by pass  4 Test12= 1.81D-13 8.33D-09 XBig12= 3.22D-04 3.45D-03.
     11 vectors produced by pass  5 Test12= 1.81D-13 8.33D-09 XBig12= 2.37D-05 7.77D-04.
     11 vectors produced by pass  6 Test12= 1.81D-13 8.33D-09 XBig12= 7.87D-07 1.26D-04.
     11 vectors produced by pass  7 Test12= 1.81D-13 8.33D-09 XBig12= 1.74D-08 1.97D-05.
     11 vectors produced by pass  8 Test12= 1.81D-13 8.33D-09 XBig12= 4.14D-10 3.55D-06.
     10 vectors produced by pass  9 Test12= 1.81D-13 8.33D-09 XBig12= 9.51D-12 4.21D-07.
      7 vectors produced by pass 10 Test12= 1.81D-13 8.33D-09 XBig12= 2.38D-13 6.95D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   116 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.146995D+03
      2  0.158416D+01  0.125435D+03
      3 -0.236123D+01  0.518434D+01  0.853153D+02
 Isotropic polarizability for W=    0.085645      119.25 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.795268D+02 -0.123895D+02  0.853410D+01
      2   0.368573D+02  0.458930D+01 -0.571315D+01
      3   0.426695D+02  0.780018D+01 -0.282095D+01
      4  -0.216704D+02 -0.373855D+02 -0.301605D+02
      5   0.211490D+02 -0.306615D+02  0.354896D+02
      6  -0.130739D+02  0.650487D+01 -0.198799D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.268203D+01 -0.196174D+01  0.243557D+01
      2   0.974612D+01 -0.142132D+02  0.127294D+02
      3   0.137390D+01  0.328001D+02  0.116818D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.500956D+00  0.122180D+02  0.978816D+01
      2  -0.126149D+02 -0.170866D+02 -0.717991D+01
      3  -0.928095D+01  0.742427D+02  0.175876D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.139095D+01 -0.199571D+01 -0.888966D+00
      2  -0.199571D+01  0.291026D+01 -0.299951D+01
      3  -0.888966D+00 -0.299951D+01 -0.136871D+01
 OR G Eigenvalues:    -4.0862    -0.5411     4.7779  Iso=    -0.0502
 Eigenvectors:
   (1)   0.564560   0.455994   0.687998
   (2)   0.792855  -0.067874  -0.605619
   (3)  -0.229462   0.887391  -0.399856
 w=    0.085645 a.u., Optical Rotation Beta=     -0.0502 au.
 Molar Mass =    132.2048 grams/mole, [Alpha] ( 5320.0 A) =      -18.01 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   57291 ScalPx= 3.45D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   57291 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.95D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.02D-14 2.78D-09 XBig12= 1.00D+00 3.50D-01.
     30 vectors produced by pass  1 Test12= 3.02D-14 2.78D-09 XBig12= 2.38D-02 2.31D-02.
     30 vectors produced by pass  2 Test12= 3.02D-14 2.78D-09 XBig12= 1.41D-03 6.94D-03.
     30 vectors produced by pass  3 Test12= 3.02D-14 2.78D-09 XBig12= 2.23D-05 5.22D-04.
     30 vectors produced by pass  4 Test12= 3.02D-14 2.78D-09 XBig12= 4.28D-07 8.50D-05.
     30 vectors produced by pass  5 Test12= 3.02D-14 2.78D-09 XBig12= 6.85D-09 9.40D-06.
     30 vectors produced by pass  6 Test12= 3.02D-14 2.78D-09 XBig12= 9.51D-11 7.99D-07.
     30 vectors produced by pass  7 Test12= 3.02D-14 2.78D-09 XBig12= 1.07D-12 9.20D-08.
     16 vectors produced by pass  8 Test12= 3.02D-14 2.78D-09 XBig12= 1.31D-14 1.20D-08.
      5 vectors produced by pass  9 Test12= 3.02D-14 2.78D-09 XBig12= 1.52D-15 1.47D-08.
      2 vectors produced by pass 10 Test12= 3.02D-14 2.78D-09 XBig12= 1.41D-15 7.32D-09.
      1 vectors produced by pass 11 Test12= 3.02D-14 2.78D-09 XBig12= 2.32D-16 2.99D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   264 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   57291 ScalPx= 9.79D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   57291 ScalPx= 9.79D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   57291 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 8.87D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146995D+03  0.158416D+01 -0.236123D+01
      2   0.158416D+01  0.125435D+03  0.518434D+01
      3  -0.236123D+01  0.518434D+01  0.853153D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.268203D+01 -0.196174D+01  0.243557D+01
      2   0.974612D+01 -0.142132D+02  0.127294D+02
      3   0.137390D+01  0.328001D+02  0.116818D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.795268D+02 -0.123895D+02  0.853410D+01
      2   0.368573D+02  0.458930D+01 -0.571315D+01
      3   0.426695D+02  0.780018D+01 -0.282095D+01
      4  -0.216704D+02 -0.373855D+02 -0.301605D+02
      5   0.211490D+02 -0.306615D+02  0.354896D+02
      6  -0.130739D+02  0.650487D+01 -0.198799D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.112492D+01 -0.134885D+01 -0.702349D+00 -0.445439D+01  0.496587D+00
      2  -0.134885D+01 -0.234503D+01 -0.614552D+00  0.496587D+00 -0.219100D+01
      3  -0.702349D+00 -0.614552D+00 -0.240984D+01  0.104798D+01  0.998022D+00
                 6             7             8             9            10 
      1   0.104798D+01 -0.157112D+01  0.757668D+00 -0.381207D+01 -0.455048D+01
      2   0.998022D+00  0.757668D+00  0.129960D+01 -0.302876D+01  0.118100D+01
      3  -0.225581D+01 -0.381207D+01 -0.302876D+01 -0.886174D+00 -0.554902D+00
                11            12            13            14            15 
      1   0.118100D+01 -0.554902D+00  0.211460D+01  0.169284D+01  0.134327D+01
      2  -0.269639D+01  0.984202D-01  0.169284D+01  0.191682D+01 -0.654189D+00
      3   0.984202D-01 -0.296423D+01  0.134327D+01 -0.654189D+00  0.729457D+00
                16            17            18            19            20 
      1   0.118062D-01  0.142739D+01 -0.493361D+01 -0.800416D+00  0.367597D+01
      2   0.142739D+01  0.314037D+00  0.106806D+01  0.367597D+01  0.983212D+00
      3  -0.493361D+01  0.106806D+01  0.172767D+01  0.625941D+00 -0.397725D+00
                21            22            23            24            25 
      1   0.625941D+00 -0.521579D+01  0.610012D+00 -0.143471D+00 -0.726953D+00
      2  -0.397725D+00  0.610012D+00 -0.206047D+01  0.107258D+01 -0.113642D+01
      3   0.746515D+00 -0.143471D+00  0.107258D+01 -0.199827D+01 -0.284777D+00
                26            27            28            29            30 
      1  -0.113642D+01 -0.284777D+00  0.131821D+02 -0.398127D+01 -0.315445D+00
      2   0.117409D+01 -0.346253D+01 -0.398127D+01  0.443204D+01  0.164900D+00
      3  -0.346253D+01 -0.264074D+01 -0.315445D+00  0.164900D+00  0.196603D+01
                31            32            33            34            35 
      1  -0.850465D+01 -0.179460D+01 -0.485329D+00 -0.198096D+01 -0.106988D+01
      2  -0.179460D+01 -0.309936D+00  0.310177D-02 -0.106988D+01 -0.473868D+00
      3  -0.485329D+00  0.310177D-02 -0.110215D+00  0.307748D+01 -0.149283D+01
                36            37            38            39            40 
      1   0.307748D+01  0.278443D+01  0.366344D+01  0.828068D+00  0.122015D+02
      2  -0.149283D+01  0.366344D+01  0.626328D+01  0.122769D+01  0.302008D+01
      3  -0.157452D+01  0.828068D+00  0.122769D+01  0.199102D+01  0.982616D-01
                41            42            43            44            45 
      1   0.302008D+01  0.982616D-01  0.270017D+01  0.222866D+00  0.211655D+01
      2   0.481450D+01 -0.426822D+00  0.222866D+00 -0.129683D+01  0.233357D+01
      3  -0.426822D+00  0.104160D+01  0.211655D+01  0.233357D+01  0.549478D+00
                46            47            48            49            50 
      1   0.129217D+01 -0.316053D+01 -0.385352D+00  0.492992D+01 -0.585455D+00
      2  -0.316053D+01 -0.254288D+01  0.508217D+00 -0.585455D+00  0.119450D+01
      3  -0.385352D+00  0.508217D+00  0.158855D+00  0.202316D+00 -0.946594D+00
                51            52            53            54            55 
      1   0.202316D+00  0.460579D+00  0.111679D+01 -0.169749D+01 -0.261240D+01
      2  -0.946594D+00  0.111679D+01 -0.845549D+00  0.336725D+01  0.274665D+01
      3   0.228755D+01 -0.169749D+01  0.336725D+01  0.233834D+01 -0.185488D+00
                56            57            58            59            60 
      1   0.274665D+01 -0.185488D+00  0.405039D+01 -0.437752D+01  0.563331D+00
      2  -0.307325D+01  0.773660D+00 -0.437752D+01 -0.194959D+01  0.187921D+01
      3   0.773660D+00 -0.246329D+01  0.563331D+00  0.187921D+01  0.357926D+01
                61            62            63            64            65 
      1  -0.227080D+01  0.106201D+01 -0.458745D+01 -0.646082D+01 -0.204804D+01
      2   0.106201D+01  0.809460D+00  0.467665D+01 -0.204804D+01  0.180196D+01
      3  -0.458745D+01  0.467665D+01  0.170513D+01 -0.241118D+01  0.182420D+00
                66            67            68            69            70 
      1  -0.241118D+01 -0.183703D+01  0.166590D+01  0.396998D+00 -0.402898D+01
      2   0.182420D+00  0.166590D+01  0.317505D+01 -0.142582D+01  0.269218D-01
      3   0.538393D+00  0.396998D+00 -0.142582D+01 -0.155568D+01 -0.457263D+00
                71            72            73            74            75 
      1   0.269218D-01 -0.457263D+00 -0.208454D+01 -0.321115D+00 -0.227360D+00
      2  -0.362280D+00 -0.241175D+01 -0.321115D+00 -0.181720D+01 -0.188692D+01
      3  -0.241175D+01  0.606911D+01 -0.227360D+00 -0.188692D+01 -0.189503D+01
                76            77            78            79            80 
      1  -0.420457D+00 -0.356218D+01 -0.141846D+01 -0.154754D+01 -0.262189D+01
      2  -0.356218D+01 -0.802894D+01  0.176813D+01 -0.262189D+01  0.195400D+01
      3  -0.141846D+01  0.176813D+01 -0.119458D+01 -0.344310D+01 -0.325404D+01
                81            82            83            84            85 
      1  -0.344310D+01 -0.732262D+01 -0.452846D+01 -0.380625D+00 -0.449818D+01
      2  -0.325404D+01 -0.452846D+01 -0.345056D+01 -0.238162D+00 -0.445407D+01
      3  -0.477900D+01 -0.380625D+00 -0.238162D+00 -0.625312D+00 -0.642687D+00
                86            87            88            89            90 
      1  -0.445407D+01 -0.642687D+00 -0.253251D+00 -0.498876D+00 -0.502526D-01
      2  -0.505516D+01 -0.576560D+00 -0.498876D+00 -0.816915D+00 -0.107073D+00
      3  -0.576560D+00 -0.644408D+00 -0.502526D-01 -0.107073D+00 -0.763563D-01
                91            92            93            94            95 
      1  -0.126518D+02  0.242198D+01  0.156833D+01  0.248100D+01 -0.207274D+01
      2   0.242198D+01 -0.117419D+01 -0.301025D+00 -0.207274D+01  0.102587D+01
      3   0.156833D+01 -0.301025D+00 -0.985513D+00 -0.693851D+00  0.337802D+00
                96            97            98            99           100 
      1  -0.693851D+00  0.167959D+01 -0.674188D+00 -0.189659D+00  0.486550D+00
      2   0.337802D+00 -0.674188D+00  0.290694D+00  0.100971D+00 -0.139050D+01
      3   0.340031D+00 -0.189659D+00  0.100971D+00  0.203289D+00 -0.356784D+00
               101           102           103           104           105 
      1  -0.139050D+01 -0.356784D+00 -0.938132D+00  0.790095D+00  0.145020D+00
      2   0.140641D+01  0.489782D+00  0.790095D+00 -0.985820D+01 -0.218925D+01
      3   0.489782D+00  0.280314D+00  0.145020D+00 -0.218925D+01 -0.134479D+01
               106           107           108           109           110 
      1  -0.374583D+00  0.465068D+00  0.280049D-01 -0.140211D+01  0.189841D+01
      2   0.465068D+00 -0.239146D+01 -0.621657D+00  0.189841D+01 -0.194812D+01
      3   0.280049D-01 -0.621657D+00 -0.408533D+00  0.498751D+00 -0.565523D+00
               111           112           113           114           115 
      1   0.498751D+00  0.166808D+01 -0.286978D+01 -0.640924D+00  0.502552D+00
      2  -0.565523D+00 -0.286978D+01  0.976081D+01  0.203109D+01 -0.856917D+00
      3  -0.395344D+00 -0.640924D+00  0.203109D+01  0.129896D+01 -0.294317D+00
               116           117           118           119           120 
      1  -0.856917D+00 -0.294317D+00  0.190651D+01 -0.145147D+01 -0.151526D+01
      2   0.213574D+01  0.573314D+00 -0.145147D+01  0.107199D+01  0.472611D+00
      3   0.573314D+00  0.402107D+00 -0.151526D+01  0.472611D+00  0.145363D+01
               121           122           123           124           125 
      1  -0.300947D+01  0.234011D+01  0.100561D+01 -0.240935D+01  0.127709D+01
      2   0.234011D+01 -0.325802D+01 -0.237503D+01  0.127709D+01 -0.248322D+01
      3   0.100561D+01 -0.237503D+01 -0.298261D+01  0.268093D+01 -0.307477D+01
               126           127           128           129           130 
      1   0.268093D+01 -0.875721D+01  0.185208D+01  0.830905D+00 -0.139526D+01
      2  -0.307477D+01  0.185208D+01  0.288854D+01 -0.129485D+01  0.317245D+01
      3  -0.557196D+01  0.830905D+00 -0.129485D+01  0.228071D+01 -0.143236D+01
               131           132           133           134           135 
      1   0.317245D+01 -0.143236D+01  0.538370D+01 -0.246754D+01  0.320076D+01
      2   0.367640D+01 -0.150978D+01 -0.246754D+01 -0.182886D+00 -0.377566D+01
      3  -0.150978D+01 -0.337384D+01  0.320076D+01 -0.377566D+01 -0.161786D+01
               136           137           138           139           140 
      1   0.118665D+01  0.622230D+00 -0.108561D+01  0.566103D+00  0.380239D+00
      2   0.622230D+00 -0.162710D+00 -0.228937D+00  0.380239D+00  0.866072D+00
      3  -0.108561D+01 -0.228937D+00  0.226879D+00 -0.538753D+00 -0.134765D+01
               141           142           143           144           145 
      1  -0.538753D+00 -0.146019D+01 -0.642412D+00  0.230954D+01  0.112431D+02
      2  -0.134765D+01 -0.642412D+00 -0.186349D+01  0.256838D+01  0.211286D+01
      3   0.170482D+01  0.230954D+01  0.256838D+01 -0.899649D+01  0.992431D+00
               146           147           148           149           150 
      1   0.211286D+01  0.992431D+00  0.140731D+01  0.145507D+01  0.438190D-01
      2   0.136609D+01 -0.126992D-01  0.145507D+01  0.528301D+00  0.331882D+00
      3  -0.126992D-01  0.109769D+01  0.438190D-01  0.331882D+00  0.315534D+00
               151           152           153           154           155 
      1   0.319226D+01  0.556205D+00  0.160074D+01 -0.123949D+00  0.101725D+01
      2   0.556205D+00  0.686460D+00  0.537987D+00  0.101725D+01 -0.813181D+00
      3   0.160074D+01  0.537987D+00  0.718458D-01 -0.418793D+00  0.220721D+00
               156           157           158           159           160 
      1  -0.418793D+00  0.184866D+01  0.183168D+01 -0.189783D+00 -0.516196D+00
      2   0.220721D+00  0.183168D+01  0.109992D+02 -0.200832D+01 -0.158116D+00
      3   0.109458D+00 -0.189783D+00 -0.200832D+01  0.129625D+01  0.748589D+00
               161           162           163           164           165 
      1  -0.158116D+00  0.748589D+00  0.224579D+01  0.105313D+01  0.163452D+01
      2  -0.342180D+01  0.227158D+01  0.105313D+01  0.852568D+00  0.885253D+00
      3   0.227158D+01 -0.714319D+00  0.163452D+01  0.885253D+00  0.154900D+01
               166           167           168           169           170 
      1   0.653549D+00  0.165695D+01  0.763374D+00  0.389670D+01  0.246308D+01
      2   0.165695D+01  0.283120D+01  0.160764D+01  0.246308D+01  0.312188D+01
      3   0.763374D+00  0.160764D+01  0.122791D+01  0.294567D+01  0.349166D+01
               171           172           173           174           175 
      1   0.294567D+01  0.518149D+00  0.293696D+00  0.662736D+00  0.109748D+01
      2   0.349166D+01  0.293696D+00 -0.644264D+00  0.118154D+00 -0.502479D+00
      3   0.703282D+01  0.662736D+00  0.118154D+00 -0.957175D+00  0.487687D+00
               176           177           178           179           180 
      1  -0.502479D+00  0.487687D+00  0.101477D+01  0.151896D-01  0.368821D+00
      2   0.114969D+01  0.119902D+01  0.151896D-01  0.152401D+01  0.122432D+01
      3   0.119902D+01  0.273012D+01  0.368821D+00  0.122432D+01  0.615116D+01
               181           182           183           184           185 
      1   0.132762D+02 -0.317645D+01  0.862391D+00 -0.128885D+01  0.142802D+01
      2  -0.317645D+01  0.170828D+01 -0.370811D+00  0.142802D+01 -0.127671D+01
      3   0.862391D+00 -0.370811D+00  0.124428D+01  0.867737D-01  0.224572D+00
               186           187           188           189           190 
      1   0.867737D-01 -0.136740D+01  0.477796D+00  0.998753D+00 -0.230482D+00
      2   0.224572D+00  0.477796D+00 -0.370936D+00  0.440505D-01 -0.113202D+01
      3   0.209709D+00  0.998753D+00  0.440505D-01  0.105619D-01  0.350806D-01
               191           192           193           194           195 
      1  -0.113202D+01  0.350806D-01 -0.145637D+01 -0.321211D+00  0.118625D-02
      2  -0.210659D+01  0.769383D+00 -0.321211D+00 -0.795038D+01  0.200695D+01
      3   0.769383D+00 -0.947049D+00  0.118625D-02  0.200695D+01 -0.130100D+01
               196           197           198 
      1  -0.334801D+00  0.258168D+00 -0.325846D+00
      2   0.258168D+00  0.119925D+01 -0.102875D+01
      3  -0.325846D+00 -0.102875D+01  0.100444D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.189328D+01  0.962896D+00 -0.441969D+01  0.265703D+01 -0.678448D+00
      2   0.219950D+01  0.143135D+01  0.484955D+01 -0.216122D+01 -0.274440D+01
      3  -0.571260D+01 -0.101842D+02 -0.752606D+00  0.841838D+01 -0.397198D+01
                 6             7             8             9            10 
      1  -0.891986D+00 -0.764169D+01  0.484882D+01  0.214528D+01  0.607149D+00
      2   0.721184D+01 -0.290823D+00  0.101560D+02  0.360095D+01 -0.702116D+00
      3   0.130934D+01  0.273040D+01  0.300970D+01 -0.446001D+01  0.440978D+01
                11            12            13            14            15 
      1   0.326565D+00  0.214400D+01 -0.176694D+00 -0.258435D+01  0.239637D+01
      2  -0.317656D+00  0.887735D+01 -0.391554D+01  0.697654D+00 -0.278780D+01
      3  -0.923677D+01 -0.237729D+00  0.101612D+02  0.412221D+01 -0.200175D+01
                16            17            18            19            20 
      1   0.444749D+01  0.104381D+02  0.220336D+01  0.110065D+01 -0.145390D+01
      2   0.689351D+01 -0.474943D+01 -0.451225D+01 -0.481665D+01  0.322075D+01
      3   0.351124D+01 -0.120443D+01  0.177224D+01  0.843610D+01 -0.644804D+01
                21            22            23            24            25 
      1   0.305098D+01 -0.640609D+00  0.945439D+00 -0.393595D+01  0.328763D+01
      2  -0.179692D+01  0.122801D+01  0.535590D+00  0.259773D+01 -0.133647D+02
      3  -0.401898D+01  0.668194D+01 -0.684661D+01  0.452002D+00 -0.373232D+01
                26            27            28            29            30 
      1   0.497565D+00 -0.135008D+01  0.196169D+00 -0.215218D-01  0.211181D+01
      2   0.302442D+01  0.365557D+01  0.241402D+01 -0.332739D+01 -0.194091D+01
      3   0.133754D+01 -0.537355D+01 -0.544088D+01  0.114837D+02  0.181944D+01
                31            32            33            34            35 
      1   0.198402D+00 -0.325393D+01 -0.928396D+00  0.352448D+01  0.956025D+01
      2  -0.145519D+01  0.534760D+00  0.234006D+00 -0.141987D+02 -0.705779D+00
      3   0.107437D+02 -0.872036D+01  0.148863D+01 -0.590786D+00 -0.138920D+01
                36            37            38            39            40 
      1   0.876125D+00 -0.185857D+01 -0.158811D+00 -0.193725D+01  0.627093D+00
      2   0.877144D+00 -0.505916D+00  0.260441D+00 -0.193134D+01  0.379857D+01
      3  -0.198203D+01 -0.201616D+01  0.891728D+01  0.216681D+01  0.121668D+02
                41            42            43            44            45 
      1  -0.457967D+00 -0.446908D+00 -0.354978D+01  0.714447D+01  0.132905D+01
      2  -0.261783D+01 -0.150446D+01 -0.137381D+02 -0.924322D+00  0.100328D+00
      3   0.167646D+02  0.127802D+01 -0.944858D+00  0.264889D+01  0.426773D+01
                46            47            48            49            50 
      1   0.682663D+00 -0.119473D+01 -0.949188D+00 -0.469609D+00  0.101489D-01
      2   0.517959D+00  0.192706D+01 -0.107436D+01  0.178782D+01  0.247083D+01
      3  -0.462685D+01 -0.146182D+02 -0.198073D+01  0.138489D+01  0.361916D+01
                51            52            53            54            55 
      1  -0.397278D+01  0.237761D+01  0.121333D+01 -0.966181D+00 -0.191723D+01
      2  -0.591405D+01 -0.103184D+02 -0.813774D+01 -0.351793D+01 -0.349827D+00
      3  -0.167288D+01 -0.167665D+01 -0.176078D+01  0.527711D+01 -0.854456D+00
                56            57            58            59            60 
      1   0.833514D+00 -0.287920D+01  0.402858D+00  0.477228D+01  0.782769D-01
      2   0.268012D+01 -0.103596D+01  0.372757D+01  0.901999D+00  0.669679D+01
      3  -0.299914D+01  0.913833D+00  0.107242D+02  0.124617D+02 -0.549516D+01
                61            62            63            64            65 
      1  -0.598704D+01  0.760436D+01  0.369306D+00  0.449921D+01 -0.229909D+01
      2  -0.146773D+02  0.983695D+01  0.137188D+01 -0.128842D+02 -0.730705D+00
      3   0.226366D+01 -0.555119D+01 -0.502371D+01  0.355010D+00 -0.119232D+02
                66            67            68            69            70 
      1  -0.647421D+00 -0.108213D+01 -0.232614D+01  0.129885D+01  0.963953D+00
      2   0.150389D+01  0.432333D+00 -0.814289D+00 -0.422629D+01 -0.905757D+01
      3  -0.388235D+01 -0.727926D+01 -0.791627D+01  0.545003D+01 -0.675620D+01
                71            72            73            74            75 
      1   0.557800D+01 -0.468472D+01  0.114979D+01  0.502306D+01  0.394873D+01
      2  -0.716813D+01  0.138144D+02  0.669498D+00 -0.172501D+01  0.154362D+00
      3   0.343742D+01  0.550036D+01 -0.481289D+01 -0.293488D+01  0.179048D+01
                76            77            78            79            80 
      1   0.234721D+01 -0.870169D+01  0.605273D+00  0.101700D+02  0.131696D+02
      2  -0.200224D+01  0.278816D+01  0.124496D+00 -0.815551D+01 -0.264003D+01
      3   0.119608D+02  0.424302D+00 -0.778224D+01  0.496296D+00 -0.127187D+02
                81            82            83            84            85 
      1   0.104024D+02  0.208497D+00  0.466137D+00 -0.238258D+01 -0.413560D+00
      2  -0.375561D+01 -0.439437D+00 -0.344540D+00  0.366636D+01  0.908717D+00
      3  -0.544025D+01 -0.188781D+01 -0.555941D+01  0.343369D-01 -0.405719D+01
                86            87            88            89            90 
      1  -0.494756D-01 -0.264866D+01  0.118365D+01  0.142932D+01 -0.137261D+00
      2   0.874888D+00  0.315238D+01 -0.154937D+01 -0.899510D+00  0.140198D+00
      3  -0.903637D+01 -0.731046D+00 -0.102742D+01 -0.151347D+01  0.594414D-01
                91            92            93            94            95 
      1  -0.145367D+00 -0.572354D+00  0.120666D+01  0.859253D-02  0.178698D+00
      2  -0.176656D+01  0.331528D+00  0.596312D+01  0.179355D+01 -0.777079D+00
      3   0.191180D+01 -0.545078D+01 -0.273175D+00 -0.400366D+01  0.292242D+01
                96            97            98            99           100 
      1  -0.712004D+00 -0.862665D+00  0.692710D+00 -0.101370D+00  0.142995D+00
      2  -0.181079D+01 -0.236409D+01  0.444058D+00 -0.573076D+00  0.739749D+00
      3   0.725595D+00 -0.201829D+01  0.150736D+01  0.152888D+00 -0.388502D+01
               101           102           103           104           105 
      1   0.291110D+00  0.108914D+01 -0.269870D+00  0.868242D+00 -0.463211D+01
      2  -0.976184D+00 -0.876987D-01 -0.122952D+01  0.244249D+01  0.681596D+00
      3   0.406033D+01  0.119321D+01  0.633212D+01 -0.126427D+02 -0.291896D+01
               106           107           108           109           110 
      1  -0.320473D+00  0.232492D+01 -0.732890D+00 -0.254242D+00  0.401350D+00
      2  -0.145174D+01  0.750772D+00  0.961830D-01 -0.443293D+00  0.572190D+00
      3   0.164578D+01 -0.357736D+01 -0.530051D+00  0.920942D+00 -0.117119D+01
               111           112           113           114           115 
      1   0.119290D+01  0.775712D-01  0.693487D+00 -0.460444D+01 -0.285397D+00
      2   0.106070D+01  0.168261D+00 -0.320471D+01 -0.282489D+01 -0.912313D+00
      3  -0.399209D+00  0.692270D+00  0.147768D+02  0.298743D+01 -0.181999D+00
               116           117           118           119           120 
      1   0.208946D+01 -0.670026D+00 -0.816284D+00 -0.538428D+00  0.145447D+01
      2  -0.171632D+00 -0.476847D+00 -0.114869D+01  0.379700D+00  0.284327D+01
      3   0.307061D+01  0.329169D+00  0.153275D+01 -0.322640D+01  0.241206D+00
               121           122           123           124           125 
      1   0.183596D+00  0.613844D+00 -0.272106D+01  0.202625D+01  0.960378D+00
      2  -0.259479D+00 -0.285337D+01 -0.525762D+01  0.126565D+01 -0.434082D+01
      3   0.630110D+00  0.383955D+01  0.412348D+01  0.892718D+00  0.494729D+01
               126           127           128           129           130 
      1  -0.384693D+01  0.334138D+01  0.195399D+01  0.314234D+01 -0.171232D+01
      2  -0.845636D+01  0.122777D+02 -0.690911D+01  0.853811D+01 -0.632694D+01
      3   0.420419D+01  0.967513D+01 -0.144244D+02  0.170591D+01 -0.536321D+01
               131           132           133           134           135 
      1   0.421361D+01 -0.117940D+02  0.281070D+01 -0.644593D+01 -0.686281D+01
      2  -0.599559D+01 -0.776934D+01  0.542612D+01 -0.819724D+01 -0.643678D+01
      3  -0.181560D+02  0.748467D+01 -0.875270D-01  0.744429D+01  0.516086D+01
               136           137           138           139           140 
      1   0.125795D+00  0.701515D+00 -0.275665D-01  0.721783D+00  0.166124D-01
      2  -0.808623D+00 -0.945693D-01  0.783971D+00 -0.378808D+00 -0.279631D+01
      3  -0.774206D+00  0.833050D+00 -0.326771D+00  0.271475D+01 -0.131273D+01
               141           142           143           144           145 
      1  -0.132974D+01 -0.147905D+01  0.210624D+01  0.692542D+01 -0.249678D+01
      2   0.358378D+01  0.103063D+01  0.486895D+01 -0.191083D+02  0.952934D+01
      3   0.268393D+01 -0.775663D+00  0.492599D+01 -0.289485D+01  0.706769D+01
               146           147           148           149           150 
      1  -0.805165D+00 -0.156008D+01 -0.844688D+00 -0.532316D+00 -0.138632D+01
      2   0.136318D+01  0.638828D+01  0.109885D+01  0.173317D+01  0.111429D+01
      3  -0.533277D+01  0.113508D+01 -0.957960D+00  0.365164D+00 -0.141568D+01
               151           152           153           154           155 
      1  -0.178070D+01 -0.486710D-01 -0.834100D+00  0.642108D+00 -0.914906D+00
      2   0.465367D+01  0.152305D+01  0.187688D+01  0.114328D+00  0.577697D+00
      3   0.238913D+01 -0.271819D+01  0.291927D+00 -0.166413D+01  0.719059D+00
               156           157           158           159           160 
      1  -0.572046D-01  0.173140D+01  0.618056D+01 -0.586147D+01 -0.193542D+01
      2   0.116122D+01 -0.316933D+00 -0.229985D+01  0.131475D+01  0.117951D+00
      3  -0.160482D+01  0.479665D+01 -0.962294D+01  0.239840D+01 -0.236122D+01
               161           162           163           164           165 
      1  -0.454583D+01  0.248328D+01 -0.338226D+01 -0.104843D+01 -0.368270D+01
      2   0.167944D+01 -0.922655D+00 -0.529404D+00  0.709244D+00  0.253471D+01
      3   0.487948D+01 -0.111605D+01  0.577222D+01 -0.255265D+00  0.242474D+01
               166           167           168           169           170 
      1  -0.122914D+01 -0.225855D+01 -0.307419D+01 -0.670485D+01 -0.488904D+01
      2   0.674384D+00  0.114071D+01  0.148710D+01  0.687655D+00  0.301143D+01
      3  -0.491422D+00 -0.207965D+00 -0.874122D-01  0.647154D+01  0.154399D+01
               171           172           173           174           175 
      1  -0.160046D+02  0.160719D+01 -0.155533D+01 -0.134602D+01 -0.775566D+00
      2   0.693180D+01  0.184738D+01 -0.316091D+00 -0.234983D+01 -0.110905D+01
      3   0.216326D+01 -0.123080D+01  0.976466D+00 -0.874542D+00  0.128627D+01
               176           177           178           179           180 
      1   0.556733D+01  0.476168D+01 -0.244259D+00  0.696206D+01  0.107912D+02
      2   0.387192D+01  0.652407D+01 -0.325156D+01  0.384156D+01  0.144694D+02
      3  -0.300717D+01 -0.365996D+01 -0.719659D+00 -0.428259D+01 -0.380285D+01
               181           182           183           184           185 
      1  -0.941493D-01  0.105480D+01  0.240664D+01  0.100861D+01 -0.615629D+00
      2  -0.840468D+01  0.108618D+01  0.612092D+01  0.137765D+01 -0.105978D+00
      3  -0.137357D+02 -0.322627D+01 -0.112762D+00 -0.115597D+00  0.186035D+01
               186           187           188           189           190 
      1  -0.171227D+00  0.134782D+01  0.107838D+01  0.201910D+00 -0.144543D+01
      2   0.149875D+00  0.139820D+01  0.345320D+00 -0.529043D+00  0.131176D+01
      3  -0.624176D+00  0.402324D+00 -0.273039D+00 -0.194672D+01  0.577044D+01
               191           192           193           194           195 
      1  -0.145226D+01 -0.185874D+01 -0.117174D+01 -0.519556D+01 -0.269053D+01
      2   0.279560D+01 -0.156744D+01  0.215920D+01  0.621723D+01 -0.277746D+01
      3   0.727819D+01 -0.155481D+01  0.707489D+01  0.210770D+02 -0.518036D+01
               196           197           198 
      1  -0.558577D+00  0.954296D+00  0.105705D+01
      2  -0.164388D+01 -0.233948D+01  0.254226D+01
      3   0.695136D-01 -0.376365D+01  0.339090D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.459596D+01 -0.231372D+02 -0.342334D+01  0.278794D+02  0.137675D+01
      2  -0.495528D+00  0.156671D+02 -0.191415D+01 -0.291885D+02 -0.553350D+01
      3   0.509149D+01  0.747007D+01  0.533749D+01  0.130907D+01  0.415675D+01
      4  -0.210130D+02  0.114218D+02  0.520061D+01  0.198163D+01 -0.169680D+02
      5   0.159825D+01  0.337071D+01  0.114202D+02 -0.588997D+01 -0.893402D+01
      6   0.314984D+01  0.245403D+01  0.985692D+01 -0.880286D+01 -0.496852D+01
                 6             7             8             9            10 
      1   0.246617D+00  0.114785D+02  0.410289D+01  0.609584D+01 -0.127224D+02
      2   0.202727D+01 -0.124879D+02 -0.642239D+01 -0.108245D+02  0.706349D+01
      3  -0.227389D+01  0.100941D+01  0.231950D+01  0.472861D+01  0.565893D+01
      4  -0.110271D+02 -0.126054D+01 -0.100590D+02  0.121197D+02  0.664568D+01
      5   0.145350D+02  0.261677D+02  0.149189D+02  0.741447D+01  0.773416D+01
      6   0.304824D+01  0.773942D+01  0.117097D+02 -0.273022D+01 -0.410223D-02
                11            12            13            14            15 
      1   0.638375D+01  0.806737D+01 -0.218914D+02 -0.194456D+02 -0.705296D+01
      2  -0.317471D+01 -0.234497D+01  0.201864D+02  0.194736D+02  0.901711D+01
      3  -0.320904D+01 -0.572240D+01  0.170501D+01 -0.280307D-01 -0.196415D+01
      4   0.236549D+02 -0.765580D+00 -0.214406D+02  0.143978D+02  0.869864D+01
      5  -0.115859D+01  0.186109D+02 -0.123207D+02  0.584142D+01 -0.582372D+01
      6   0.376093D+00 -0.437754D+01  0.739892D+01  0.465508D+01 -0.427646D+01
                16            17            18            19            20 
      1   0.443830D+01 -0.899537D+01  0.115186D+02  0.126242D+02  0.717394D+01
      2   0.221573D+01  0.641889D+01 -0.171646D+02 -0.981066D+01 -0.806091D+01
      3  -0.665403D+01  0.257648D+01  0.564601D+01 -0.281357D+01  0.886969D+00
      4  -0.138331D+02  0.403639D+01 -0.320940D+01  0.103162D+02 -0.225621D+02
      5   0.336495D+02 -0.560485D+01 -0.910953D+01 -0.148625D+01 -0.205872D+01
      6  -0.160055D+01  0.691092D+01 -0.346068D+01 -0.217332D+01  0.216434D+01
                21            22            23            24            25 
      1  -0.185443D+01  0.637041D+01  0.108190D+02  0.544085D+01 -0.174524D+01
      2   0.197153D+01  0.890869D-01 -0.166948D+02 -0.901917D+01  0.178907D+01
      3  -0.117097D+00 -0.645950D+01  0.587581D+01  0.357832D+01 -0.438349D-01
      4  -0.417027D+01  0.171217D+02  0.100894D+02  0.714228D-01  0.106034D+01
      5  -0.588618D+01  0.891480D+00  0.561954D+00  0.376861D+01  0.236315D+01
      6  -0.627145D+01  0.290975D+01 -0.128636D+02  0.580641D+01  0.957593D-02
                26            27            28            29            30 
      1   0.417733D+01 -0.143157D+02 -0.227385D+02  0.834188D+01  0.287082D+01
      2  -0.105618D+02 -0.374569D+00  0.138976D+02 -0.458475D+01  0.248008D+00
      3   0.638447D+01  0.146902D+02  0.884083D+01 -0.375712D+01 -0.311882D+01
      4   0.318218D+01  0.949068D+01 -0.107435D+02  0.956909D+01  0.824742D+00
      5   0.819641D+01  0.794111D+01  0.407317D+01 -0.101403D+01 -0.202125D+01
      6   0.136841D+02  0.530222D+01 -0.231426D+01 -0.382665D+00 -0.266417D+01
                31            32            33            34            35 
      1  -0.368699D+01 -0.457477D+01 -0.514177D+00  0.693271D+01 -0.168033D+01
      2   0.836622D+01  0.105369D+02  0.222889D+01  0.120969D+00  0.239057D+00
      3  -0.467922D+01 -0.596216D+01 -0.171472D+01 -0.705367D+01  0.144127D+01
      4  -0.585052D+01  0.105900D+02  0.154746D+01 -0.421572D+01  0.139793D+01
      5  -0.277413D+01  0.140320D-01 -0.220907D+00  0.399845D+01 -0.994949D+00
      6   0.576903D+01  0.273847D+01  0.153236D+01 -0.150913D+01  0.665120D+01
                36            37            38            39            40 
      1  -0.952334D+01 -0.167313D+02 -0.249823D+02 -0.484324D+01 -0.603866D+01
      2  -0.290430D+01  0.123312D+02  0.179649D+02  0.276953D+01 -0.298604D+01
      3   0.124276D+02  0.440006D+01  0.701735D+01  0.207371D+01  0.902471D+01
      4  -0.321482D+01 -0.651781D+01 -0.295444D+01  0.253797D+01  0.475286D+01
      5   0.616087D+00 -0.109028D+01  0.268561D+01 -0.159716D+01  0.427991D+01
      6  -0.222099D+00  0.637185D+01  0.379975D+01  0.340203D+01 -0.635665D+01
                41            42            43            44            45 
      1  -0.752616D+01  0.350505D+01  0.494024D+00  0.687790D+01 -0.105528D+02
      2   0.820555D+01  0.878133D-01 -0.205719D+01 -0.571511D+01  0.945994D+00
      3  -0.679387D+00 -0.359287D+01  0.156317D+01 -0.116278D+01  0.960677D+01
      4  -0.864158D+01 -0.249709D+01  0.159549D+01 -0.704300D+00 -0.194031D+01
      5  -0.210085D+01 -0.227351D+01  0.444111D+01 -0.284745D+01  0.737262D+00
      6  -0.613556D+00  0.243137D+01  0.876714D+00  0.903576D+01 -0.156338D+01
                46            47            48            49            50 
      1   0.177497D+02  0.160842D+02 -0.162318D+01 -0.173110D+02  0.137236D+02
      2  -0.150580D+02 -0.114040D+02 -0.106137D+01  0.150914D+02 -0.204410D+02
      3  -0.269164D+01 -0.468020D+01  0.268456D+01  0.221961D+01  0.671738D+01
      4   0.724270D+01 -0.175798D+02 -0.605966D+01  0.124172D+02 -0.261320D+01
      5   0.325837D+01 -0.496611D+01 -0.484355D+01  0.805931D+00  0.490795D+01
      6  -0.690303D+01  0.186225D+01  0.713221D+00  0.370785D+01 -0.120877D+02
                51            52            53            54            55 
      1   0.366963D+01 -0.623162D+01 -0.127450D+01 -0.725215D+01  0.203011D+02
      2  -0.780231D+01  0.797924D+01 -0.695669D+01 -0.486569D+01 -0.101247D+02
      3   0.413268D+01 -0.174763D+01  0.823119D+01  0.121178D+02 -0.101764D+02
      4   0.493433D+01 -0.290686D+01  0.103073D+02 -0.128627D+02  0.925408D+01
      5  -0.108702D+02  0.838085D+01 -0.124142D+02 -0.729291D+01 -0.194506D+01
      6   0.654203D+01 -0.430118D+01  0.125679D+02  0.283129D+01  0.287538D+01
                56            57            58            59            60 
      1  -0.540942D+01  0.285937D+01 -0.476146D+01 -0.579095D+01  0.434173D+01
      2   0.298954D+01 -0.170255D+01  0.881007D-01  0.503021D+01 -0.404717D+01
      3   0.241988D+01 -0.115682D+01  0.467336D+01  0.760745D+00 -0.294562D+00
      4  -0.125335D+02  0.291133D+01 -0.235971D+02 -0.644713D+01  0.670530D+01
      5   0.324327D+01 -0.111252D+02  0.483380D+01  0.822834D+01  0.160037D+02
      6  -0.126286D+01  0.811899D+01  0.305258D+01 -0.456265D+01 -0.136984D+02
                61            62            63            64            65 
      1  -0.568579D+01  0.634792D+01  0.211459D+01 -0.361561D+02 -0.129553D+02
      2  -0.412685D+00  0.590631D+00 -0.160738D+01  0.115320D+02  0.945523D+01
      3   0.609848D+01 -0.693855D+01 -0.507209D+00  0.246241D+02  0.350008D+01
      4   0.105378D+02 -0.581472D-01  0.241947D+02 -0.167815D+02  0.125289D+01
      5  -0.234588D+02  0.217458D+02  0.595695D+01 -0.112242D+02  0.136424D+00
      6   0.182357D+02 -0.163484D+02 -0.948069D+01 -0.417960D+01  0.608408D+00
                66            67            68            69            70 
      1  -0.121147D+02 -0.107522D+02  0.672796D+01  0.159422D+00 -0.224967D+02
      2   0.751537D+01  0.981519D+01  0.731475D+00 -0.682262D+01  0.941018D+01
      3   0.459929D+01  0.937008D+00 -0.745943D+01  0.666320D+01  0.130865D+02
      4  -0.327453D+01  0.450114D+01  0.149274D+02 -0.436925D+01 -0.702473D+01
      5   0.293280D+01  0.259698D+01 -0.718487D+01 -0.685788D+01 -0.120567D+01
      6   0.267362D+00 -0.192613D+01 -0.256875D+01 -0.367455D+01 -0.337295D+01
                71            72            73            74            75 
      1  -0.222947D+01  0.725263D+01  0.266241D+01  0.102809D+02  0.876893D+01
      2  -0.925370D+01  0.123560D+02  0.486697D+01 -0.362551D+01 -0.753291D+01
      3   0.114832D+02 -0.196086D+02 -0.752938D+01 -0.665542D+01 -0.123602D+01
      4   0.126254D+01 -0.117324D+02  0.386726D+01  0.148556D+01 -0.279578D+01
      5  -0.107670D+02  0.256855D+02  0.769076D+00 -0.475454D+01 -0.703141D+01
      6  -0.155593D+01  0.180906D+02 -0.317793D+01 -0.863138D+01 -0.771393D+01
                76            77            78            79            80 
      1   0.198028D+02  0.268737D+02 -0.817933D+01  0.142958D+02 -0.766789D+01
      2  -0.172763D+02 -0.402201D+02  0.144923D+02 -0.653068D+01  0.208962D+02
      3  -0.252652D+01  0.133464D+02 -0.631296D+01 -0.776511D+01 -0.132283D+02
      4  -0.222282D+01 -0.107645D+02  0.157188D+01 -0.557120D+01 -0.142335D+01
      5  -0.695524D+01  0.271869D+01 -0.216839D+01 -0.116737D+02 -0.912122D+01
      6  -0.351714D+01  0.131042D+02 -0.642200D+01 -0.162442D+02 -0.183009D+02
                81            82            83            84            85 
      1   0.122570D+02  0.389707D+02  0.205352D+02  0.215879D+01  0.166336D+02
      2  -0.721893D+01 -0.127900D+02 -0.331185D+01 -0.931037D+00  0.160748D+01
      3  -0.503808D+01 -0.261807D+02 -0.172234D+02 -0.122776D+01 -0.182411D+02
      4  -0.107093D+02  0.424524D+02  0.324225D+02  0.241094D+01  0.372484D+02
      5  -0.155844D+02  0.484740D+01  0.268862D+01  0.668107D+01  0.536088D+01
      6  -0.202740D+02  0.640206D+00  0.494197D+00  0.316750D+01  0.232133D+01
                86            87            88            89            90 
      1   0.110668D+02  0.152509D+01 -0.500650D-01  0.279422D+00  0.760081D+00
      2   0.770559D+01 -0.514238D+00  0.133866D+01  0.131127D+01  0.477472D+00
      3  -0.187724D+02 -0.101085D+01 -0.128859D+01 -0.159069D+01 -0.123755D+01
      4   0.385155D+02  0.408152D+01  0.396914D+01  0.427831D+01  0.286805D+01
      5   0.489485D+01  0.501680D+01  0.212397D+01  0.147942D+01  0.604845D+00
      6   0.231000D+01  0.442881D+01  0.141791D+01  0.163575D+01  0.109659D+01
                91            92            93            94            95 
      1   0.920788D+02 -0.164169D+02 -0.976489D+01 -0.151575D+02  0.110133D+02
      2  -0.518045D+02  0.822791D+01  0.668610D+01  0.679689D+01 -0.452973D+01
      3  -0.402743D+02  0.818903D+01  0.307879D+01  0.836056D+01 -0.648353D+01
      4  -0.261097D+02  0.129719D+02  0.287351D+01  0.194178D+02 -0.923922D+01
      5  -0.149387D+02  0.273782D+01  0.107714D+02  0.566544D+01 -0.293522D+01
      6   0.685081D-01 -0.690325D+00 -0.135122D+01 -0.166792D+01  0.743731D+00
                96            97            98            99           100 
      1   0.303024D+01 -0.115648D+02  0.367360D+01  0.379109D+01 -0.398289D+01
      2  -0.218058D+01  0.643982D+01 -0.197511D+01 -0.219117D+01  0.568735D+01
      3  -0.849655D+00  0.512498D+01 -0.169849D+01 -0.159992D+01 -0.170446D+01
      4  -0.276720D+01  0.628033D+01 -0.308429D+01 -0.212235D+01 -0.192319D+00
      5  -0.294799D+01  0.406399D+01 -0.101235D+01 -0.243084D+01 -0.441848D-01
      6   0.204177D+01 -0.722445D+00  0.846448D+00  0.789044D+00  0.219437D+01
               101           102           103           104           105 
      1   0.756485D+01  0.258998D+01  0.405063D+01 -0.388596D+02 -0.914809D+01
      2  -0.777690D+01 -0.173823D+01 -0.413429D+01  0.530916D+02  0.919575D+01
      3   0.212055D+00 -0.851751D+00  0.836613D-01 -0.142319D+02 -0.476669D-01
      4   0.716310D+01  0.113643D+01  0.555315D+01  0.111758D+02  0.294365D+01
      5   0.876127D+00  0.130563D+01  0.975722D+00  0.379226D+01  0.180590D+01
      6  -0.336944D+01 -0.192720D+01 -0.944250D+00  0.162124D+02  0.101742D+02
               106           107           108           109           110 
      1   0.123462D+01 -0.916845D+01 -0.408416D+01  0.201211D+01 -0.249023D+01
      2  -0.121274D+01  0.110381D+02  0.447106D+01  0.334450D+01 -0.347627D+01
      3  -0.218788D-01 -0.186964D+01 -0.386905D+00 -0.535661D+01  0.596650D+01
      4   0.130971D+01  0.196855D+01 -0.743719D+00 -0.122934D+02  0.166883D+02
      5   0.666651D+00  0.332612D+00 -0.124983D+00 -0.289301D+01  0.376827D+01
      6  -0.358609D+00  0.639412D+01  0.410737D+01  0.258652D+01 -0.316916D+01
               111           112           113           114           115 
      1  -0.301837D+00  0.234530D+01 -0.236503D+02 -0.510589D+01  0.181824D+00
      2  -0.382819D+00 -0.955241D+01  0.425582D+02  0.615918D+01 -0.173863D+01
      3   0.684655D+00  0.720711D+01 -0.189079D+02 -0.105328D+01  0.155681D+01
      4   0.400548D+01  0.185828D+02 -0.418163D+02 -0.856791D+01  0.506597D+01
      5   0.339899D+01  0.373344D+01 -0.770194D+01 -0.528103D+01  0.175539D+01
      6  -0.214596D+01 -0.413529D+01  0.134729D+02  0.944217D+01 -0.194638D+01
               116           117           118           119           120 
      1  -0.407605D+01 -0.290043D+01  0.421245D+01 -0.197071D+01 -0.333080D+01
      2   0.713262D+01  0.375970D+01 -0.368102D+01  0.113975D+01  0.282367D+01
      3  -0.305656D+01 -0.859267D+00 -0.531431D+00  0.830963D+00  0.507129D+00
      4  -0.101829D+02 -0.306453D+01 -0.817965D+01  0.953353D+01  0.482055D+01
      5  -0.261796D+01 -0.181816D+01 -0.858496D+01  0.424995D+01  0.116499D+02
      6   0.563686D+01  0.393225D+01  0.584342D+01 -0.277546D+01 -0.439448D+01
               121           122           123           124           125 
      1   0.767606D+00 -0.624402D+01 -0.578152D+01 -0.435708D+00 -0.583315D+01
      2  -0.953691D+00  0.606183D+01  0.323417D+01  0.370462D+01  0.328496D+00
      3   0.186086D+00  0.182194D+00  0.254735D+01 -0.326892D+01  0.550466D+01
      4   0.138872D+02 -0.145335D+02 -0.100218D+02  0.795711D+01 -0.105737D+02
      5   0.611257D+01 -0.100741D+02 -0.126771D+02  0.162516D+02 -0.129403D+02
      6  -0.597779D+01  0.132989D+02  0.152767D+02 -0.964772D+01  0.148212D+02
               126           127           128           129           130 
      1  -0.990971D+01 -0.563359D+02  0.231444D+02 -0.443081D+01  0.128174D+02
      2  -0.585189D+01  0.217880D+02 -0.196468D+02  0.579523D+00 -0.104940D+02
      3   0.157616D+02  0.345479D+02 -0.349760D+01  0.385129D+01 -0.232340D+01
      4  -0.133773D+02  0.294704D+02  0.636736D+01 -0.514749D+01  0.122700D+02
      5  -0.233052D+02 -0.593864D+01 -0.174207D+01  0.113267D+02 -0.523829D+01
      6   0.202501D+02 -0.242683D+01  0.820752D+01 -0.612526D+01  0.671257D+01
               131           132           133           134           135 
      1   0.242352D+02 -0.115293D+01  0.356904D+01 -0.270507D+01  0.851782D+01
      2  -0.260420D+02  0.160924D+02 -0.325150D+01  0.126223D+02  0.826294D+01
      3   0.180690D+01 -0.149394D+02 -0.317546D+00 -0.991723D+01 -0.167808D+02
      4   0.596092D+01 -0.472652D+01 -0.152996D+02  0.835053D+00 -0.231232D+02
      5  -0.640429D+00 -0.155096D+02  0.185282D+02 -0.192504D+02 -0.325773D+01
      6   0.953877D+01  0.517773D+01 -0.126490D+02  0.775387D+01 -0.449668D+01
               136           137           138           139           140 
      1   0.490734D+01  0.374945D+01 -0.438929D+01  0.159576D+01 -0.528624D+01
      2  -0.508411D+01 -0.252541D+01  0.268667D+01 -0.147846D+01  0.119970D+01
      3   0.176766D+00 -0.122404D+01  0.170262D+01 -0.117305D+00  0.408654D+01
      4   0.445522D+01  0.153864D+01 -0.325457D+01  0.447147D+01  0.383723D+01
      5  -0.565250D+01 -0.269879D+01  0.705985D+01 -0.358112D+01 -0.569352D+01
      6  -0.302903D+01 -0.521074D+00  0.101274D+00 -0.238105D+01 -0.655498D+01
               141           142           143           144           145 
      1   0.365167D+01 -0.302706D+01  0.467573D+01 -0.141891D+02  0.690587D+02
      2  -0.159848D+00  0.791005D+01  0.223511D+01 -0.204272D+02 -0.333563D+02
      3  -0.349182D+01 -0.488298D+01 -0.691083D+01  0.346162D+02 -0.357024D+02
      4  -0.662577D+01 -0.617421D+01 -0.942939D+01  0.125943D+02  0.270226D+02
      5   0.717627D+01  0.161019D+02  0.114353D+02 -0.390911D+02  0.205416D+01
      6   0.113531D+02  0.643166D+01  0.107844D+02 -0.231478D+02  0.951692D+00
               146           147           148           149           150 
      1   0.103727D+02  0.635863D+01  0.578802D+01  0.649654D+01  0.160049D+00
      2  -0.310198D+01 -0.227846D+01 -0.102520D+00 -0.709935D+00  0.127448D+01
      3  -0.727069D+01 -0.408017D+01 -0.568550D+01 -0.578660D+01 -0.143452D+01
      4   0.146361D+02  0.165748D+01  0.134843D+02  0.560927D+01  0.209324D+01
      5  -0.344409D+00  0.910371D+01 -0.795869D-01  0.172833D+01  0.160180D+01
      6  -0.247553D+00  0.241390D+01 -0.330869D+00  0.934390D+00  0.214264D+01
               151           152           153           154           155 
      1   0.160761D+02  0.222537D+01  0.626944D+01 -0.872586D+00  0.525696D+01
      2  -0.753243D+01  0.116587D+01 -0.547373D+01  0.397623D+01 -0.593882D+01
      3  -0.854362D+01 -0.339123D+01 -0.795711D+00 -0.310365D+01  0.681865D+00
      4   0.711716D+01  0.474079D+01  0.461029D+01  0.150496D+01  0.845287D+01
      5   0.108933D+02  0.308425D+01  0.235939D+01 -0.644971D+00 -0.705957D+00
      6   0.297740D+01  0.197231D+01 -0.282075D+00 -0.294696D+01  0.128932D+01
               156           157           158           159           160 
      1  -0.226061D+01 -0.407266D+01 -0.412402D+02  0.771617D+01 -0.126560D+01
      2   0.167826D+01  0.772183D+01  0.669260D+02 -0.120924D+02 -0.131000D+01
      3   0.582349D+00 -0.364918D+01 -0.256857D+02  0.437624D+01  0.257561D+01
      4  -0.189851D+01  0.987991D+01  0.187661D+02 -0.317097D+01 -0.361479D+01
      5   0.296865D+01 -0.127024D+01 -0.284707D+01  0.270554D+01  0.375227D+01
      6   0.132499D+00 -0.224041D+01 -0.161966D+02  0.104854D+02  0.444116D+01
               161           162           163           164           165 
      1   0.133689D+02 -0.905028D+01  0.201269D+01 -0.118621D+01 -0.360628D-01
      2  -0.202388D+02  0.960058D+01 -0.377271D+01  0.122173D+01  0.165720D+00
      3   0.686989D+01 -0.550296D+00  0.176002D+01 -0.355239D-01 -0.129658D+00
      4  -0.591710D+01  0.428727D+01  0.710531D+01  0.697407D+01  0.648577D+01
      5   0.430846D+01 -0.393929D+00  0.732023D+01  0.485043D+01  0.105116D+02
      6   0.160981D+02 -0.660548D+01  0.699440D+01  0.468345D+01  0.709632D+01
               166           167           168           169           170 
      1  -0.447531D+01 -0.112450D+02 -0.520693D+01 -0.439140D+01 -0.110275D+02
      2   0.573288D+01  0.129350D+02  0.434050D+01  0.185916D-01  0.624963D+01
      3  -0.125757D+01 -0.169003D+01  0.866424D+00  0.437281D+01  0.477787D+01
      4   0.534315D+01  0.772348D+01  0.546194D+01  0.117725D+02  0.104937D+02
      5   0.277354D+01  0.538257D+01  0.423098D+01  0.137308D+02  0.116980D+02
      6   0.463286D+01  0.806606D+01  0.100285D+02  0.136589D+02  0.202611D+02
               171           172           173           174           175 
      1  -0.179160D+02  0.385140D+01 -0.105917D+01  0.578638D+01  0.301866D+01
      2   0.983794D+00 -0.422889D+01  0.193998D+01 -0.373950D+00 -0.201199D+01
      3   0.169322D+02  0.377491D+00 -0.880808D+00 -0.541243D+01 -0.100667D+01
      4   0.115853D+02 -0.566005D+00 -0.161403D+01 -0.751144D+00 -0.195712D+01
      5   0.215090D+02  0.268667D+01  0.123472D+01  0.522868D+00  0.451861D+01
      6   0.311832D+02  0.266480D+00 -0.168356D+01  0.206255D+01 -0.855156D+00
               176           177           178           179           180 
      1  -0.522940D+01 -0.291724D+01  0.490638D+01 -0.165580D+01 -0.138087D+02
      2  -0.154333D+00 -0.919911D+01 -0.329998D+01 -0.717057D+01 -0.181879D+02
      3   0.538374D+01  0.121164D+02 -0.160641D+01  0.882637D+01  0.319966D+02
      4   0.658114D+01  0.576777D+01 -0.174265D+01  0.740889D+01  0.784069D+01
      5   0.411160D+01  0.116337D+02  0.657839D+01  0.491099D+01  0.237662D+02
      6   0.195774D+01  0.854244D+00 -0.368910D+00  0.366425D+01 -0.543366D+01
               181           182           183           184           185 
      1   0.803560D+02 -0.143590D+02  0.170490D+01 -0.545103D+01  0.454248D+01
      2  -0.366134D+02  0.314396D+01 -0.305745D+01 -0.100764D+01  0.183658D+01
      3  -0.437427D+02  0.112150D+02  0.135255D+01  0.645867D+01 -0.637907D+01
      4  -0.436759D+02  0.198880D+02 -0.276798D+01  0.149977D+02 -0.991517D+01
      5   0.186464D+02 -0.469553D+01  0.116129D+02 -0.105483D+01  0.176649D+01
      6  -0.316460D+01  0.280137D+01 -0.478925D+01  0.125962D+01 -0.200819D+01
               186           187           188           189           190 
      1   0.173641D+00 -0.575924D+01  0.880350D+00  0.574115D+01 -0.669212D+00
      2  -0.127608D+01  0.649683D+00 -0.217419D+00 -0.487307D+01  0.433599D+01
      3   0.110244D+01  0.510956D+01 -0.662931D+00 -0.868086D+00 -0.366678D+01
      4   0.981725D+00  0.415831D+01 -0.199699D+01 -0.198336D+01 -0.167977D+01
      5   0.673462D-01  0.934742D+01 -0.671711D+00  0.715065D+00 -0.906414D+00
      6   0.142446D+01 -0.337468D+01  0.131777D+01  0.534695D+00 -0.162298D+01
               191           192           193           194           195 
      1  -0.128096D+02  0.405968D+01 -0.852749D+01 -0.314065D+02  0.798268D+01
      2   0.138217D+02 -0.223233D+01  0.580249D+01  0.452800D+02 -0.812382D+01
      3  -0.101211D+01 -0.182735D+01  0.272500D+01 -0.138736D+02  0.141139D+00
      4  -0.134175D+01  0.120502D+01  0.615241D+01 -0.256514D+02  0.655352D+01
      5  -0.518857D+00 -0.205708D+01 -0.338421D+01  0.416353D+01 -0.391532D+01
      6  -0.600725D+01  0.442789D+01 -0.990226D+00 -0.194238D+02  0.111966D+02
               196           197           198 
      1   0.620167D+00  0.624800D+01 -0.769283D+01
      2  -0.168758D+00 -0.517282D+01  0.423049D+01
      3  -0.451409D+00 -0.107519D+01  0.346234D+01
      4   0.819616D+00  0.351749D+01 -0.150751D+01
      5   0.538139D+00 -0.228352D+01  0.274181D+01
      6   0.189141D+01  0.989459D+01 -0.523633D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 21:28:03 2021, MaxMem= 10737418240 cpu:           38477.2 elap:            2407.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.44000 -10.43857 -10.43736 -10.43710 -10.43659
 Alpha  occ. eigenvalues --  -10.43630 -10.43585 -10.43460 -10.43092 -10.42513
 Alpha  occ. eigenvalues --   -1.01860  -0.95675  -0.90171  -0.86247  -0.84676
 Alpha  occ. eigenvalues --   -0.78401  -0.73522  -0.69988  -0.68583  -0.62113
 Alpha  occ. eigenvalues --   -0.59478  -0.57223  -0.56349  -0.53756  -0.52421
 Alpha  occ. eigenvalues --   -0.51110  -0.50062  -0.49096  -0.47840  -0.45166
 Alpha  occ. eigenvalues --   -0.43678  -0.43041  -0.42477  -0.41888  -0.34373
 Alpha  occ. eigenvalues --   -0.32887
 Alpha virt. eigenvalues --   -0.01120  -0.00390  -0.00354   0.00259   0.01115
 Alpha virt. eigenvalues --    0.01179   0.02083   0.02352   0.03270   0.03662
 Alpha virt. eigenvalues --    0.04096   0.05153   0.06198   0.06416   0.06688
 Alpha virt. eigenvalues --    0.06998   0.07730   0.08480   0.08872   0.09159
 Alpha virt. eigenvalues --    0.10462   0.10961   0.11055   0.11375   0.11630
 Alpha virt. eigenvalues --    0.12202   0.12462   0.12635   0.13144   0.13443
 Alpha virt. eigenvalues --    0.13556   0.13982   0.14364   0.14725   0.14878
 Alpha virt. eigenvalues --    0.15202   0.15715   0.16115   0.16881   0.17609
 Alpha virt. eigenvalues --    0.18370   0.18950   0.19492   0.19835   0.21603
 Alpha virt. eigenvalues --    0.22331   0.23140   0.23775   0.24902   0.25014
 Alpha virt. eigenvalues --    0.25265   0.26820   0.27142   0.27989   0.28496
 Alpha virt. eigenvalues --    0.28772   0.29219   0.29512   0.30311   0.30780
 Alpha virt. eigenvalues --    0.31388   0.31743   0.32138   0.33021   0.34021
 Alpha virt. eigenvalues --    0.34290   0.35069   0.35770   0.36634   0.36973
 Alpha virt. eigenvalues --    0.37448   0.37834   0.38534   0.39226   0.39974
 Alpha virt. eigenvalues --    0.40273   0.40751   0.41655   0.42095   0.43058
 Alpha virt. eigenvalues --    0.43832   0.44531   0.45096   0.45601   0.46392
 Alpha virt. eigenvalues --    0.46578   0.47627   0.48159   0.48862   0.49644
 Alpha virt. eigenvalues --    0.50426   0.50824   0.51446   0.51541   0.52543
 Alpha virt. eigenvalues --    0.53523   0.53758   0.54276   0.54879   0.55485
 Alpha virt. eigenvalues --    0.56208   0.56549   0.57374   0.57729   0.58121
 Alpha virt. eigenvalues --    0.59029   0.59612   0.59723   0.60498   0.60674
 Alpha virt. eigenvalues --    0.61485   0.62086   0.62795   0.63535   0.63920
 Alpha virt. eigenvalues --    0.64078   0.65009   0.65144   0.66322   0.66757
 Alpha virt. eigenvalues --    0.67595   0.68607   0.68784   0.69735   0.70897
 Alpha virt. eigenvalues --    0.71285   0.71909   0.72506   0.72659   0.72969
 Alpha virt. eigenvalues --    0.73810   0.74989   0.75994   0.76583   0.76839
 Alpha virt. eigenvalues --    0.77627   0.78154   0.78645   0.79312   0.80772
 Alpha virt. eigenvalues --    0.81215   0.82363   0.82868   0.83491   0.84013
 Alpha virt. eigenvalues --    0.84374   0.85517   0.86067   0.86884   0.87498
 Alpha virt. eigenvalues --    0.88769   0.89877   0.90993   0.91207   0.92083
 Alpha virt. eigenvalues --    0.93893   0.94661   0.95819   0.96816   0.98754
 Alpha virt. eigenvalues --    1.00034   1.01245   1.02361   1.03105   1.05041
 Alpha virt. eigenvalues --    1.05798   1.07178   1.08079   1.09199   1.09676
 Alpha virt. eigenvalues --    1.10315   1.12810   1.13556   1.14917   1.16399
 Alpha virt. eigenvalues --    1.19581   1.22048   1.23209   1.25246   1.25678
 Alpha virt. eigenvalues --    1.29486   1.31004   1.34940   1.37665   1.38506
 Alpha virt. eigenvalues --    1.39263   1.41059   1.42529   1.43252   1.43665
 Alpha virt. eigenvalues --    1.44991   1.45507   1.46583   1.47763   1.48986
 Alpha virt. eigenvalues --    1.49580   1.50591   1.54442   1.54908   1.56303
 Alpha virt. eigenvalues --    1.57131   1.58216   1.59741   1.61930   1.63701
 Alpha virt. eigenvalues --    1.64920   1.65936   1.66305   1.66832   1.67943
 Alpha virt. eigenvalues --    1.69746   1.71071   1.72833   1.74226   1.76083
 Alpha virt. eigenvalues --    1.77447   1.77921   1.78222   1.78778   1.79335
 Alpha virt. eigenvalues --    1.81234   1.83132   1.83806   1.84830   1.86114
 Alpha virt. eigenvalues --    1.87636   1.90106   1.90453   1.91831   1.92358
 Alpha virt. eigenvalues --    1.93317   1.94163   1.95652   1.96591   1.97533
 Alpha virt. eigenvalues --    1.99057   2.00379   2.02223   2.05146   2.05669
 Alpha virt. eigenvalues --    2.06568   2.06857   2.08052   2.09769   2.09889
 Alpha virt. eigenvalues --    2.10034   2.13016   2.13760   2.16260   2.17250
 Alpha virt. eigenvalues --    2.17694   2.19640   2.21249   2.21462   2.24055
 Alpha virt. eigenvalues --    2.25646   2.27006   2.28297   2.29367   2.30772
 Alpha virt. eigenvalues --    2.31491   2.32650   2.34422   2.38379   2.39486
 Alpha virt. eigenvalues --    2.40143   2.43321   2.46309   2.46694   2.49001
 Alpha virt. eigenvalues --    2.50330   2.53274   2.55289   2.58270   2.59801
 Alpha virt. eigenvalues --    2.60434   2.61267   2.63343   2.65581   2.68403
 Alpha virt. eigenvalues --    2.69121   2.71463   2.76854   2.79638   2.79835
 Alpha virt. eigenvalues --    2.84098   2.86921   2.88940   2.91959   2.94569
 Alpha virt. eigenvalues --    2.99102   3.02512   3.06324   3.09898   3.10893
 Alpha virt. eigenvalues --    3.15123   3.42560   3.55854   3.61854   3.73733
 Alpha virt. eigenvalues --    3.91928   4.69671
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   19.002948  -8.981290 -10.962229   6.340031  -7.186644   8.240420
     2  C   -8.981290  18.238728   8.737660  -7.722311   5.456916  -9.570439
     3  C  -10.962229   8.737660  37.194425 -20.041149   8.353560 -12.483924
     4  C    6.340031  -7.722311 -20.041149  36.479976 -16.549939   9.015293
     5  C   -7.186644   5.456916   8.353560 -16.549939  33.198993 -16.279027
     6  C    8.240420  -9.570439 -12.483924   9.015293 -16.279027  32.683322
     7  C    0.180186  -0.174060  -4.152181   1.204622  -4.399831   0.466765
     8  C   -0.091367  -0.088997  -0.537396  -0.396889  -0.183669  -0.361830
     9  C   -0.333273   0.505736   1.298147  -5.096769   2.471960  -5.169132
    10  H   -1.920623   0.945525   1.035052  -0.175982   0.066614  -0.258395
    11  H    0.950140  -1.806040  -0.232412   0.091978  -0.205211   0.934270
    12  H    0.747980  -0.301721  -3.012894   2.023131  -0.468918   0.223251
    13  H   -0.276802   0.584893   0.130956  -0.124486   1.560220  -2.361291
    14  H   -0.050854   0.046859   0.326601   0.253214   0.249633  -0.108982
    15  C    0.140151  -0.064843  -0.370736   0.155715   0.024325   0.184979
    16  H   -0.007221  -0.010111   0.158990  -0.180607  -0.112969  -0.046157
    17  H    0.018793  -0.013325  -0.133419   0.427816  -0.064790   0.078647
    18  H    0.051904  -0.107281  -0.126291   0.390374   0.202994   0.177474
    19  H   -0.051474   0.047500   0.150019  -0.025015   0.182711  -0.126235
    20  H   -0.006442   0.005163   0.106761  -0.318154   0.223527   0.028488
    21  H   -0.011674   0.002211  -0.047567   0.305758  -0.084221   0.005844
    22  H    0.071429   0.001289   0.035702  -0.170171  -0.058481  -0.031504
               7          8          9         10         11         12
     1  C    0.180186  -0.091367  -0.333273  -1.920623   0.950140   0.747980
     2  C   -0.174060  -0.088997   0.505736   0.945525  -1.806040  -0.301721
     3  C   -4.152181  -0.537396   1.298147   1.035052  -0.232412  -3.012894
     4  C    1.204622  -0.396889  -5.096769  -0.175982   0.091978   2.023131
     5  C   -4.399831  -0.183669   2.471960   0.066614  -0.205211  -0.468918
     6  C    0.466765  -0.361830  -5.169132  -0.258395   0.934270   0.223251
     7  C   15.265786  -0.167931  -0.989642   0.051672  -0.037567   0.206225
     8  C   -0.167931   7.143695   0.126410   0.002291   0.008737   0.019032
     9  C   -0.989642   0.126410  13.302194  -0.023699   0.033340  -0.047841
    10  H    0.051672   0.002291  -0.023699   2.036036  -0.086305  -0.115630
    11  H   -0.037567   0.008737   0.033340  -0.086305   2.017521  -0.031513
    12  H    0.206225   0.019032  -0.047841  -0.115630  -0.031513   2.400451
    13  H    0.025468  -0.008445   0.118215  -0.026555  -0.112286   0.017812
    14  H   -1.711740   0.209988   0.048334  -0.003884   0.001492  -0.000498
    15  C    0.002916  -0.198341  -0.210150   0.001621   0.000868   0.091533
    16  H    0.612034  -0.324645  -0.150152  -0.000747   0.000058   0.004087
    17  H   -0.495193  -0.434415   0.398447   0.000874   0.000471  -0.005570
    18  H   -0.045138   0.142744  -0.780726   0.002269  -0.002764  -0.008122
    19  H    0.111720  -0.115876  -0.090762  -0.000810  -0.001320  -0.001342
    20  H   -0.168514  -0.076366  -0.173702  -0.001016   0.000903   0.013279
    21  H   -0.205827   0.097829   0.047565   0.000036  -0.000056   0.008732
    22  H    0.333652  -0.067344   0.020245   0.000893   0.000516  -0.040369
              13         14         15         16         17         18
     1  C   -0.276802  -0.050854   0.140151  -0.007221   0.018793   0.051904
     2  C    0.584893   0.046859  -0.064843  -0.010111  -0.013325  -0.107281
     3  C    0.130956   0.326601  -0.370736   0.158990  -0.133419  -0.126291
     4  C   -0.124486   0.253214   0.155715  -0.180607   0.427816   0.390374
     5  C    1.560220   0.249633   0.024325  -0.112969  -0.064790   0.202994
     6  C   -2.361291  -0.108982   0.184979  -0.046157   0.078647   0.177474
     7  C    0.025468  -1.711740   0.002916   0.612034  -0.495193  -0.045138
     8  C   -0.008445   0.209988  -0.198341  -0.324645  -0.434415   0.142744
     9  C    0.118215   0.048334  -0.210150  -0.150152   0.398447  -0.780726
    10  H   -0.026555  -0.003884   0.001621  -0.000747   0.000874   0.002269
    11  H   -0.112286   0.001492   0.000868   0.000058   0.000471  -0.002764
    12  H    0.017812  -0.000498   0.091533   0.004087  -0.005570  -0.008122
    13  H    2.091290  -0.005130   0.005382   0.001796   0.001324  -0.004991
    14  H   -0.005130   2.226306   0.019229  -0.216544   0.087159   0.026319
    15  C    0.005382   0.019229   4.831314   0.075271  -0.081802   0.012691
    16  H    0.001796  -0.216544   0.075271   2.226006  -0.682641  -0.225789
    17  H    0.001324   0.087159  -0.081802  -0.682641   2.521195   0.105260
    18  H   -0.004991   0.026319   0.012691  -0.225789   0.105260   1.823161
    19  H    0.012732  -0.022966   0.016630   0.184296  -0.301689  -0.504900
    20  H   -0.000076   0.101069   0.399526  -0.002644  -0.032887   0.006854
    21  H    0.000527  -0.057758   0.121843   0.047351  -0.069267  -0.003194
    22  H   -0.000930  -0.035625   0.108234  -0.008560   0.027170   0.001454
              19         20         21         22
     1  C   -0.051474  -0.006442  -0.011674   0.071429
     2  C    0.047500   0.005163   0.002211   0.001289
     3  C    0.150019   0.106761  -0.047567   0.035702
     4  C   -0.025015  -0.318154   0.305758  -0.170171
     5  C    0.182711   0.223527  -0.084221  -0.058481
     6  C   -0.126235   0.028488   0.005844  -0.031504
     7  C    0.111720  -0.168514  -0.205827   0.333652
     8  C   -0.115876  -0.076366   0.097829  -0.067344
     9  C   -0.090762  -0.173702   0.047565   0.020245
    10  H   -0.000810  -0.001016   0.000036   0.000893
    11  H   -0.001320   0.000903  -0.000056   0.000516
    12  H   -0.001342   0.013279   0.008732  -0.040369
    13  H    0.012732  -0.000076   0.000527  -0.000930
    14  H   -0.022966   0.101069  -0.057758  -0.035625
    15  C    0.016630   0.399526   0.121843   0.108234
    16  H    0.184296  -0.002644   0.047351  -0.008560
    17  H   -0.301689  -0.032887  -0.069267   0.027170
    18  H   -0.504900   0.006854  -0.003194   0.001454
    19  H    1.611226  -0.025235   0.019954   0.000803
    20  H   -0.025235   1.900464  -0.371325  -0.421603
    21  H    0.019954  -0.371325   1.788253  -0.393491
    22  H    0.000803  -0.421603  -0.393491   1.820984
 Mulliken charges:
               1
     1  C    0.135911
     2  C    0.267939
     3  C    0.572326
     4  C    0.113563
     5  C   -0.397750
     6  C    0.758164
     7  C    0.086577
     8  C    1.302784
     9  C    0.695254
    10  H   -0.529237
    11  H   -0.524822
    12  H   -0.721095
    13  H   -0.629623
    14  H   -0.382221
    15  C    0.733645
    16  H   -0.341103
    17  H   -0.352158
    18  H   -0.134303
    19  H   -0.069965
    20  H   -0.188072
    21  H   -0.201522
    22  H   -0.194293
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.393326
     2  C   -0.256883
     3  C   -0.148769
     4  C    0.113563
     5  C   -0.397750
     6  C    0.128541
     7  C   -0.295645
     8  C    0.609523
     9  C    0.490987
    15  C    0.149758
 Electronic spatial extent (au):  <R**2>=           1392.8773
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.6287    Y=              0.1150    Z=             -0.0184  Tot=              0.6394
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -57.4361   YY=            -57.0358   ZZ=            -63.5798
   XY=              0.1135   XZ=             -0.7330   YZ=              1.4607
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.9145   YY=              2.3147   ZZ=             -4.2292
   XY=              0.1135   XZ=             -0.7330   YZ=              1.4607
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -8.8941  YYY=             -0.4897  ZZZ=             -0.6065  XYY=             -3.7719
  XXY=             -0.6651  XXZ=              1.8859  XZZ=              7.4248  YZZ=              1.6322
  YYZ=             -1.4823  XYZ=             -1.7003
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1139.8799 YYYY=           -560.0747 ZZZZ=           -171.6956 XXXY=              1.5971
 XXXZ=             -7.5791 YYYX=              1.2643 YYYZ=              6.2937 ZZZX=             -2.3972
 ZZZY=              0.6831 XXYY=           -288.7305 XXZZ=           -243.8562 YYZZ=           -128.8138
 XXYZ=              8.0817 YYXZ=             -2.1114 ZZXY=              0.6563
 N-N= 5.059870942501D+02 E-N=-1.910899329035D+03  KE= 3.856403293375D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 21:28:04 2021, MaxMem= 10737418240 cpu:               6.5 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.28257933D-01 4.59182780D-02-1.27765492D-02
 Polarizability= 1.37576691D+02 1.42875506D+00 1.17519961D+02
                -2.29571087D+00 5.20228097D+00 7.75956099D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.1782    1.1806        0.7897    0.7921
 2     -1.1782   -1.1806       -2.5938   -2.5922      -10.7778  -10.7798
 3     -0.7897   -0.7921       30.8393   30.8396        2.5934    2.5922
 4      2.5938    2.5922       -0.0000    0.0000       -0.7922   -0.7921
 5    -20.0615  -20.0599        0.7922    0.7921        1.1881    1.1806
 6     -2.5934   -2.5922       -1.1881   -1.1806       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.5418   -3.5418        2.3762    2.3762
 2      7.7765    7.7765        0.0000    0.0000        2.3762    2.3762
 3      7.7765    7.7765       -3.5418   -3.5418        0.0000    0.0000
 4     -3.5418   -3.5418       -7.7765   -7.7765      -32.3393  -32.3393
 5     -2.3762   -2.3762       92.5189   92.5189        7.7765    7.7765
 6    -60.1796  -60.1796        2.3762    2.3762        3.5418    3.5418
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1817    0.0000       -4.5032   -4.7225       -2.9062   -3.1683
 2      4.1203    4.7225        9.7903   10.3687       43.2634   43.1191
 3      2.8373    3.1683     -123.0760 -123.3586      -10.0707  -10.3687
 4     -9.9509  -10.3687        0.1951    0.0000        3.5885    3.1683
 5     80.2457   80.2395       -3.4728   -3.1683       -4.2547   -4.7225
 6     10.7525   10.3687        5.0164    4.7225        0.0273    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.3579    0.0000        4.1376    3.8095       -8.1026   -7.7844
 2     -4.0213   -3.8095       45.1023   45.5295       34.0012   33.7905
 3      8.2323    7.7844       18.3271   17.9996      -45.2137  -45.5295
 4    -45.4292  -45.5295        0.1261    0.0000        7.8337    7.7844
 5    -51.7933  -51.7901       -8.7046   -7.7844        4.6202    3.8095
 6     45.5687   45.5295       -4.3145   -3.8095        1.4753    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -6.4381   -5.8123       19.4778   19.6824       14.2169   14.6441
 2    -73.1735  -72.8751       20.5597   20.1897       14.4148   14.6441
 3    -73.2592  -72.8751       19.8814   19.6824       13.7197   14.2472
 4     -0.5065   -0.5072       66.9662   67.0628       33.5487   33.1713
 5      0.5273   -0.3969       35.6970   36.1771      -67.1924  -67.0628
 6    -69.0659  -69.3484       -0.8847    0.3969        1.5030    0.5072
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0003    0.0005    0.0006    2.4026    5.2078    8.5405
 Low frequencies ---  106.0399  132.0549  212.3502
 Diagonal vibrational polarizability:
        1.0892232       1.0718862       6.1129305
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    106.0370               132.0531               212.3501
 Red. masses --      2.7203                 2.8873                 2.2959
 Frc consts  --      0.0180                 0.0297                 0.0610
 IR Inten    --      0.0022                 0.5622                 1.6550
 RamAct Fr= 1--      2.5334                 3.5134                 1.1885
  Dep-P Fr= 1--      0.7478                 0.7324                 0.6542
  Dep-U Fr= 1--      0.8557                 0.8455                 0.7910
 Alpha2 Fr= 1--      0.0001                 0.0011                 0.0020
 Beta2  Fr= 1--      0.3613                 0.4951                 0.1567
 AlphaG Fr= 1--      0.0006                 0.0001                 0.0051
 Gamma2 Fr= 1--      1.2883                 0.5222                -0.1450
 Delta2 Fr= 1--      0.7683                 0.0432                 0.0786
 Raman1 Fr= 1--      10.133                 14.054                  4.754
 ROA1   Fr= 1--     148.259                 51.515                -11.400
 CID1   Fr= 1--      14.631                  3.666                 -2.398
 Raman2 Fr= 1--       4.335                  5.941                  1.880
 ROA2   Fr= 1--      24.772                 12.188                 -4.108
 CID2   Fr= 1--       5.714                  2.051                 -2.185
 Raman3 Fr= 1--       8.671                 11.882                  3.760
 ROA3   Fr= 1--     148.259                 51.515                -11.400
 CID3   Fr= 1--      17.098                  4.335                 -3.032
 RC180  Fr= 1--       0.711                  0.691                  0.582
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03  -0.10    -0.04   0.04  -0.06     0.03  -0.03   0.14
     2   6     0.02  -0.00   0.05    -0.04   0.06  -0.17     0.02  -0.00  -0.01
     3   6    -0.03   0.01  -0.14    -0.03  -0.02   0.11     0.02  -0.02   0.04
     4   6    -0.00  -0.03  -0.04    -0.01  -0.04   0.15    -0.00   0.01  -0.10
     5   6     0.03  -0.04   0.06    -0.01  -0.03   0.10     0.01   0.01  -0.08
     6   6     0.04  -0.03   0.13    -0.02   0.03  -0.06     0.01   0.02  -0.13
     7   6    -0.00  -0.03   0.00    -0.01  -0.02   0.02     0.00   0.02  -0.07
     8   6    -0.05  -0.04  -0.15    -0.09  -0.01  -0.07    -0.01   0.03  -0.03
     9   6     0.05  -0.07   0.02     0.01  -0.05   0.12     0.05  -0.08   0.17
    10   1    -0.04   0.06  -0.18    -0.06   0.06  -0.12     0.04  -0.07   0.30
    11   1     0.03   0.01   0.09    -0.05   0.11  -0.33     0.02  -0.01   0.00
    12   1    -0.06   0.02  -0.23    -0.04  -0.03   0.15     0.03  -0.04   0.12
    13   1     0.07  -0.05   0.22    -0.01   0.05  -0.14     0.00   0.03  -0.17
    14   1     0.05  -0.15   0.10    -0.11  -0.02  -0.01     0.06   0.02  -0.05
    15   6    -0.03   0.19   0.15     0.21   0.03  -0.07    -0.10   0.05  -0.00
    16   1    -0.27  -0.08  -0.16    -0.31  -0.00  -0.08    -0.17   0.11  -0.01
    17   1     0.02  -0.01  -0.35    -0.02   0.03  -0.27     0.04   0.01  -0.15
    18   1     0.03  -0.03   0.12     0.00   0.01   0.26     0.16   0.09   0.48
    19   1     0.16  -0.17   0.01     0.10  -0.21   0.12     0.03  -0.45   0.25
    20   1    -0.09   0.34   0.04     0.36   0.04  -0.05    -0.28   0.02  -0.02
    21   1    -0.02   0.21   0.22     0.19   0.05  -0.27    -0.08   0.13   0.15
    22   1    -0.01   0.20   0.30     0.27   0.02   0.03    -0.05   0.02  -0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    246.1990               290.6034               365.3570
 Red. masses --      1.0453                 2.8329                 2.6788
 Frc consts  --      0.0373                 0.1410                 0.2107
 IR Inten    --      0.0263                 1.0015                 0.4251
 RamAct Fr= 1--      0.0304                 0.6582                 0.6932
  Dep-P Fr= 1--      0.4846                 0.4771                 0.1718
  Dep-U Fr= 1--      0.6529                 0.6460                 0.2932
 Alpha2 Fr= 1--      0.0002                 0.0036                 0.0101
 Beta2  Fr= 1--      0.0033                 0.0709                 0.0339
 AlphaG Fr= 1--     -0.0007                -0.0046                 0.0037
 Gamma2 Fr= 1--     -0.0448                 0.1921                -0.9576
 Delta2 Fr= 1--      0.0278                 0.0515                -0.2142
 Raman1 Fr= 1--       0.122                  2.633                  2.773
 ROA1   Fr= 1--      -3.410                 20.091                -98.781
 CID1   Fr= 1--     -28.023                  7.631                -35.627
 Raman2 Fr= 1--       0.040                  0.850                  0.406
 ROA2   Fr= 1--      -1.297                  4.199                -21.267
 CID2   Fr= 1--     -32.649                  4.938                -52.331
 Raman3 Fr= 1--       0.079                  1.701                  0.813
 ROA3   Fr= 1--      -3.410                 20.091                -98.781
 CID3   Fr= 1--     -42.923                 11.813               -121.532
 RC180  Fr= 1--       0.306                  0.292                 -0.414
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.01    -0.09   0.04   0.05    -0.03   0.02  -0.01
     2   6    -0.00   0.02   0.00    -0.04   0.05   0.10     0.00   0.05  -0.12
     3   6    -0.02  -0.00   0.00    -0.11  -0.00  -0.10    -0.03  -0.08   0.16
     4   6     0.00  -0.02   0.01    -0.03  -0.07  -0.10    -0.00  -0.06  -0.04
     5   6     0.00  -0.01   0.01    -0.03  -0.06  -0.12     0.03  -0.09   0.06
     6   6     0.01   0.00   0.01     0.00   0.01  -0.07     0.06  -0.05   0.11
     7   6     0.01  -0.01   0.01     0.03  -0.03   0.00    -0.00   0.02  -0.15
     8   6    -0.01  -0.00  -0.00     0.05  -0.02   0.14     0.07   0.02   0.06
     9   6    -0.01   0.00  -0.02    -0.05  -0.06   0.02    -0.01  -0.03  -0.01
    10   1    -0.02   0.03  -0.02    -0.11   0.06   0.15    -0.06   0.06  -0.05
    11   1    -0.00   0.03  -0.00    -0.01   0.07   0.24    -0.00   0.13  -0.29
    12   1    -0.03  -0.00  -0.00    -0.20  -0.02  -0.13    -0.07  -0.12   0.29
    13   1     0.03   0.01   0.01     0.09   0.03  -0.07     0.13  -0.05   0.20
    14   1     0.02   0.00   0.01     0.11  -0.01   0.01     0.04   0.04  -0.15
    15   6     0.02  -0.00   0.00     0.19   0.10   0.01    -0.08   0.14  -0.07
    16   1    -0.01  -0.02  -0.01     0.27   0.06   0.16     0.36   0.17   0.10
    17   1    -0.01   0.01  -0.01    -0.02  -0.07   0.34    -0.01  -0.10   0.33
    18   1    -0.03  -0.01  -0.05     0.00  -0.05   0.05    -0.11  -0.09  -0.11
    19   1    -0.00   0.04  -0.03    -0.19  -0.10   0.07    -0.03   0.12  -0.03
    20   1    -0.46  -0.30   0.09     0.30   0.21  -0.04    -0.18   0.28  -0.18
    21   1     0.10   0.51   0.23     0.18   0.19  -0.15    -0.07   0.14   0.05
    22   1     0.44  -0.24  -0.33     0.30   0.09   0.21    -0.09   0.16   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    413.0301               446.7862               536.0813
 Red. masses --      2.7330                 2.7308                 4.7337
 Frc consts  --      0.2747                 0.3212                 0.8015
 IR Inten    --      0.2925                 6.6577                 0.5122
 RamAct Fr= 1--      0.5438                 0.7304                11.5401
  Dep-P Fr= 1--      0.7412                 0.3626                 0.1902
  Dep-U Fr= 1--      0.8513                 0.5322                 0.3196
 Alpha2 Fr= 1--      0.0001                 0.0062                 0.1608
 Beta2  Fr= 1--      0.0772                 0.0648                 0.6146
 AlphaG Fr= 1--     -0.0006                 0.0040                 0.0104
 Gamma2 Fr= 1--      0.3225                 0.3875                -1.3119
 Delta2 Fr= 1--      0.0226                 0.1834                -0.0941
 Raman1 Fr= 1--       2.175                  2.922                 46.161
 ROA1   Fr= 1--      31.681                 43.070               -128.950
 CID1   Fr= 1--      14.564                 14.742                 -2.794
 Raman2 Fr= 1--       0.926                  0.777                  7.375
 ROA2   Fr= 1--       7.558                  7.833                -30.732
 CID2   Fr= 1--       8.163                 10.076                 -4.167
 Raman3 Fr= 1--       1.852                  1.555                 14.751
 ROA3   Fr= 1--      31.681                 43.070               -128.950
 CID3   Fr= 1--      17.108                 27.700                 -8.742
 RC180  Fr= 1--       0.703                  0.064                 -0.361
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.09  -0.02     0.02  -0.03   0.13     0.20   0.06  -0.11
     2   6    -0.03  -0.10  -0.01     0.04   0.00  -0.00     0.25   0.04   0.08
     3   6     0.03   0.05   0.00    -0.02   0.01  -0.16     0.13  -0.13   0.01
     4   6    -0.07   0.12   0.05     0.00  -0.04   0.09    -0.05  -0.04   0.07
     5   6    -0.02   0.14   0.03     0.05  -0.07   0.24    -0.03   0.01  -0.09
     6   6    -0.10   0.01   0.01     0.03   0.03  -0.15     0.10   0.16  -0.02
     7   6    -0.13  -0.04  -0.03    -0.03  -0.00  -0.05    -0.19  -0.05   0.00
     8   6     0.09  -0.15   0.03    -0.01   0.00   0.01    -0.19  -0.08   0.10
     9   6     0.15  -0.01   0.00    -0.01   0.02   0.01    -0.15  -0.03   0.02
    10   1     0.05  -0.13  -0.04     0.01  -0.03   0.20     0.09   0.19  -0.18
    11   1    -0.05  -0.15  -0.01     0.03   0.04  -0.10     0.23  -0.10   0.17
    12   1     0.17   0.09  -0.02    -0.05   0.08  -0.49     0.18  -0.12   0.02
    13   1    -0.25  -0.03   0.01     0.00   0.10  -0.51     0.13   0.16  -0.00
    14   1    -0.27  -0.10  -0.03    -0.07   0.01  -0.07    -0.27  -0.03  -0.04
    15   6     0.01   0.09  -0.05    -0.05   0.04  -0.04    -0.05   0.06  -0.07
    16   1     0.31  -0.07   0.05     0.06   0.05   0.03    -0.12  -0.03   0.11
    17   1     0.06  -0.35   0.20    -0.02  -0.05   0.07    -0.20  -0.15   0.15
    18   1     0.32   0.01   0.00    -0.20  -0.11  -0.20    -0.09  -0.04  -0.01
    19   1     0.17  -0.05   0.00     0.11   0.31  -0.07    -0.27  -0.03   0.05
    20   1    -0.03   0.14  -0.09    -0.11   0.10  -0.08    -0.01   0.13  -0.10
    21   1     0.03   0.33  -0.13    -0.05   0.05   0.03    -0.05   0.21  -0.19
    22   1     0.24   0.02   0.07    -0.06   0.06   0.01     0.11   0.01   0.09
                     10                     11                     12
                      A                      A                      A
 Frequencies --    555.3319               599.6320               668.6377
 Red. masses --      3.3375                 4.7828                 2.6843
 Frc consts  --      0.6064                 1.0132                 0.7071
 IR Inten    --      2.2008                 0.8571                 0.3238
 RamAct Fr= 1--      0.7450                 3.2825                 0.4245
  Dep-P Fr= 1--      0.7370                 0.7184                 0.0865
  Dep-U Fr= 1--      0.8486                 0.8361                 0.1592
 Alpha2 Fr= 1--      0.0002                 0.0018                 0.0077
 Beta2  Fr= 1--      0.1054                 0.4574                 0.0113
 AlphaG Fr= 1--      0.0029                 0.0053                -0.0181
 Gamma2 Fr= 1--      0.7368                -0.1241                 0.1925
 Delta2 Fr= 1--      0.1526                 0.2334                -0.0646
 Raman1 Fr= 1--       2.980                 13.130                  1.698
 ROA1   Fr= 1--      75.617                 -4.444                 16.411
 CID1   Fr= 1--      25.376                 -0.338                  9.665
 Raman2 Fr= 1--       1.264                  5.489                  0.135
 ROA2   Fr= 1--      16.463                 -4.845                  5.137
 CID2   Fr= 1--      13.021                 -0.883                 37.999
 Raman3 Fr= 1--       2.529                 10.979                  0.270
 ROA3   Fr= 1--      75.617                 -4.444                 16.411
 CID3   Fr= 1--      29.903                 -0.405                 60.696
 RC180  Fr= 1--       0.697                  0.672                 -0.682
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.02  -0.17    -0.18  -0.16  -0.01     0.03  -0.04   0.08
     2   6    -0.01  -0.06   0.21     0.17  -0.07  -0.05     0.07   0.03  -0.07
     3   6    -0.05  -0.03   0.09    -0.17  -0.11  -0.01    -0.02  -0.13  -0.09
     4   6     0.02  -0.07   0.23    -0.13  -0.02  -0.05    -0.09  -0.03   0.06
     5   6     0.03  -0.02  -0.05     0.17   0.06  -0.06    -0.06  -0.01  -0.01
     6   6     0.01  -0.03  -0.14     0.20  -0.09  -0.03    -0.01   0.09   0.10
     7   6     0.03   0.07  -0.03    -0.14   0.06   0.11    -0.05   0.14   0.10
     8   6     0.09   0.08  -0.04    -0.05   0.08   0.06     0.10   0.08  -0.09
     9   6     0.05  -0.01  -0.02     0.13   0.21   0.05     0.01  -0.10  -0.10
    10   1    -0.12   0.09  -0.48    -0.29  -0.05   0.12    -0.08   0.07   0.08
    11   1     0.02  -0.02   0.35     0.24   0.14   0.07     0.03  -0.01  -0.21
    12   1    -0.09   0.00  -0.08    -0.06  -0.11   0.11    -0.03  -0.10  -0.21
    13   1     0.00   0.01  -0.32     0.10  -0.15   0.10    -0.04   0.10   0.06
    14   1    -0.07   0.07  -0.05    -0.04   0.12   0.09    -0.07   0.04   0.16
    15   6    -0.06   0.04  -0.05    -0.01   0.01  -0.00    -0.00   0.01   0.02
    16   1     0.21   0.13  -0.03    -0.26  -0.00   0.03     0.41   0.02  -0.10
    17   1     0.05   0.04   0.08     0.06  -0.03  -0.19    -0.01   0.06   0.22
    18   1     0.06   0.09   0.19     0.10   0.14  -0.08    -0.01   0.07   0.26
    19   1     0.03  -0.23   0.03     0.08   0.32   0.04     0.10  -0.45  -0.05
    20   1    -0.16   0.02  -0.06     0.16  -0.10   0.10     0.13  -0.22   0.20
    21   1    -0.05  -0.06   0.12    -0.03   0.06  -0.24    -0.02  -0.06  -0.13
    22   1    -0.18   0.08  -0.13     0.08  -0.03  -0.04    -0.04  -0.01  -0.21
                     13                     14                     15
                      A                      A                      A
 Frequencies --    739.3819               763.2320               783.9892
 Red. masses --      2.6396                 1.5147                 2.5628
 Frc consts  --      0.8502                 0.5199                 0.9281
 IR Inten    --      9.8551                43.4738                 4.6059
 RamAct Fr= 1--      5.0863                 8.3682                18.1519
  Dep-P Fr= 1--      0.0633                 0.0919                 0.0606
  Dep-U Fr= 1--      0.1191                 0.1684                 0.1143
 Alpha2 Fr= 1--      0.0973                 0.1494                 0.3496
 Beta2  Fr= 1--      0.1009                 0.2348                 0.3457
 AlphaG Fr= 1--      0.0621                 0.0189                 0.0170
 Gamma2 Fr= 1--      0.2293                -0.9793                -1.0848
 Delta2 Fr= 1--      0.1578                -0.1347                -0.1311
 Raman1 Fr= 1--      20.345                 33.473                 72.608
 ROA1   Fr= 1--      27.057                -98.326               -108.340
 CID1   Fr= 1--       1.330                 -2.937                 -1.492
 Raman2 Fr= 1--       1.211                  2.818                  4.148
 ROA2   Fr= 1--       4.240                -22.426                -24.987
 CID2   Fr= 1--       3.501                 -7.958                 -6.023
 Raman3 Fr= 1--       2.422                  5.636                  8.297
 ROA3   Fr= 1--      27.057                -98.326               -108.340
 CID3   Fr= 1--      11.170                -17.446                -13.058
 RC180  Fr= 1--      -0.762                 -0.663                 -0.771
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.14     0.00   0.03  -0.03     0.03   0.05   0.00
     2   6     0.00   0.00   0.06    -0.03   0.02  -0.09    -0.06  -0.00   0.07
     3   6    -0.00  -0.14   0.02     0.01   0.08  -0.06     0.04   0.08   0.05
     4   6    -0.06  -0.01  -0.14     0.03  -0.00   0.10     0.03   0.04  -0.11
     5   6    -0.05  -0.02   0.16     0.02  -0.04  -0.01     0.03  -0.09   0.03
     6   6    -0.10   0.14  -0.08     0.03  -0.06  -0.04     0.04  -0.11  -0.03
     7   6     0.04   0.05   0.01    -0.03   0.03   0.04    -0.07   0.14   0.14
     8   6     0.06  -0.00  -0.01    -0.00  -0.00  -0.01    -0.01  -0.06   0.03
     9   6     0.07  -0.03   0.04    -0.02  -0.04  -0.01     0.01  -0.11  -0.02
    10   1    -0.02   0.01   0.29     0.11  -0.15   0.55     0.11   0.01  -0.25
    11   1    -0.00  -0.20   0.40     0.05  -0.07   0.55    -0.07   0.12  -0.24
    12   1     0.00  -0.25   0.46     0.04   0.01   0.26     0.01   0.08   0.04
    13   1    -0.12   0.11   0.07     0.13  -0.14   0.38     0.13  -0.04  -0.27
    14   1     0.14   0.05   0.04    -0.12  -0.00   0.03     0.05   0.07   0.22
    15   6     0.01   0.00   0.01    -0.03   0.03  -0.03    -0.07   0.09  -0.05
    16   1    -0.06  -0.01  -0.01     0.07  -0.02  -0.01    -0.11  -0.18   0.01
    17   1     0.11   0.00  -0.13    -0.03  -0.02   0.06     0.03  -0.07  -0.07
    18   1    -0.06  -0.16  -0.21    -0.07  -0.02   0.03    -0.04  -0.17  -0.12
    19   1     0.18   0.28  -0.06     0.01  -0.07  -0.01     0.01   0.01  -0.04
    20   1     0.06  -0.07   0.07    -0.01  -0.02   0.01     0.22  -0.22   0.20
    21   1     0.01  -0.04  -0.03    -0.03   0.01  -0.05    -0.11   0.08  -0.45
    22   1    -0.01   0.00  -0.08    -0.04   0.02  -0.08    -0.01   0.02  -0.32
                     16                     17                     18
                      A                      A                      A
 Frequencies --    787.9166               852.6370               879.7097
 Red. masses --      2.2720                 3.7913                 1.3434
 Frc consts  --      0.8310                 1.6239                 0.6125
 IR Inten    --      1.4639                 0.5249                 0.0134
 RamAct Fr= 1--      0.8351                 7.6191                 1.4725
  Dep-P Fr= 1--      0.5794                 0.0895                 0.7105
  Dep-U Fr= 1--      0.7337                 0.1642                 0.8308
 Alpha2 Fr= 1--      0.0027                 0.1369                 0.0010
 Beta2  Fr= 1--      0.1021                 0.2086                 0.2039
 AlphaG Fr= 1--     -0.0133                -0.0133                -0.0050
 Gamma2 Fr= 1--      1.5938                 0.1409                 0.2262
 Delta2 Fr= 1--      0.5889                 0.2540                 0.0672
 Raman1 Fr= 1--       3.340                 30.476                  5.890
 ROA1   Fr= 1--     171.852                 21.658                 23.867
 CID1   Fr= 1--      51.447                  0.711                  4.052
 Raman2 Fr= 1--       1.225                  2.503                  2.447
 ROA2   Fr= 1--      33.540                  1.350                  4.891
 CID2   Fr= 1--      27.370                  0.540                  1.999
 Raman3 Fr= 1--       2.451                  5.005                  4.893
 ROA3   Fr= 1--     171.852                 21.658                 23.867
 CID3   Fr= 1--      70.120                  4.327                  4.878
 RC180  Fr= 1--       0.467                 -0.672                  0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.06     0.15   0.14   0.02     0.01  -0.02   0.06
     2   6     0.07  -0.04   0.04    -0.19   0.06   0.03     0.00   0.01  -0.05
     3   6    -0.00   0.09   0.06     0.07  -0.14  -0.04     0.01  -0.01   0.09
     4   6    -0.02   0.08  -0.12     0.03  -0.11  -0.03    -0.01   0.02  -0.04
     5   6     0.04  -0.00   0.12     0.02  -0.07  -0.02     0.00  -0.01   0.02
     6   6     0.06  -0.03  -0.05    -0.04  -0.09  -0.02    -0.01   0.02  -0.10
     7   6    -0.07  -0.06  -0.03    -0.16  -0.06   0.01    -0.02   0.01  -0.01
     8   6    -0.03   0.06  -0.09     0.03   0.08  -0.06     0.02   0.01  -0.02
     9   6    -0.09  -0.00  -0.03     0.09   0.24   0.04    -0.01  -0.02   0.02
    10   1    -0.00  -0.06   0.03     0.19   0.09  -0.02    -0.03   0.08  -0.40
    11   1     0.09   0.07  -0.00    -0.24  -0.07  -0.01     0.04  -0.06   0.31
    12   1     0.12   0.08   0.24    -0.17  -0.19  -0.02    -0.04   0.13  -0.53
    13   1     0.02  -0.01  -0.20     0.15  -0.05  -0.01     0.06  -0.12   0.59
    14   1    -0.08  -0.15   0.03    -0.17  -0.13   0.05    -0.00  -0.04   0.03
    15   6     0.03  -0.07   0.09    -0.03  -0.04   0.04     0.00  -0.01   0.02
    16   1     0.44   0.11  -0.07     0.24   0.09  -0.06     0.04   0.05  -0.01
    17   1    -0.20   0.01   0.37     0.02  -0.21   0.07     0.01  -0.02   0.01
    18   1    -0.27   0.13   0.28     0.02   0.32   0.22    -0.11  -0.06  -0.05
    19   1     0.13  -0.27  -0.03     0.21   0.03   0.05     0.03   0.08  -0.01
    20   1     0.09  -0.05   0.09     0.12  -0.01   0.05     0.05  -0.04   0.06
    21   1     0.03   0.01  -0.01    -0.04   0.15  -0.23    -0.00   0.01  -0.05
    22   1     0.13  -0.10   0.16     0.19  -0.12   0.19     0.03  -0.02   0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    908.7120               936.6976               962.1341
 Red. masses --      1.9451                 1.3796                 1.3811
 Frc consts  --      0.9463                 0.7132                 0.7533
 IR Inten    --      0.1868                 0.7735                 0.2647
 RamAct Fr= 1--      1.6297                 0.1594                 1.5226
  Dep-P Fr= 1--      0.7486                 0.4428                 0.3705
  Dep-U Fr= 1--      0.8562                 0.6138                 0.5407
 Alpha2 Fr= 1--      0.0000                 0.0010                 0.0125
 Beta2  Fr= 1--      0.2326                 0.0163                 0.1372
 AlphaG Fr= 1--      0.0019                 0.0034                 0.0166
 Gamma2 Fr= 1--     -0.0415                 0.1153                 0.0824
 Delta2 Fr= 1--     -0.1683                -0.0406                 0.1969
 Raman1 Fr= 1--       6.519                  0.638                  6.090
 ROA1   Fr= 1--      -9.371                  9.769                 14.212
 CID1   Fr= 1--      -1.438                 15.317                  2.334
 Raman2 Fr= 1--       2.791                  0.196                  1.646
 ROA2   Fr= 1--       0.350                  3.093                  0.403
 CID2   Fr= 1--       0.125                 15.801                  0.245
 Raman3 Fr= 1--       5.582                  0.391                  3.293
 ROA3   Fr= 1--      -9.371                  9.769                 14.212
 CID3   Fr= 1--      -1.679                 24.956                  4.316
 RC180  Fr= 1--       0.712                  0.228                  0.081
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.01     0.00  -0.01   0.06    -0.01   0.02  -0.08
     2   6     0.03  -0.00   0.02     0.00  -0.01   0.07     0.02  -0.02   0.07
     3   6    -0.01   0.04  -0.03    -0.01   0.02  -0.11     0.00  -0.01   0.05
     4   6    -0.03   0.03   0.03     0.00  -0.01   0.03     0.01  -0.00   0.01
     5   6    -0.02  -0.03  -0.05     0.00   0.00   0.01    -0.01   0.01  -0.03
     6   6     0.00  -0.00   0.01    -0.01   0.02  -0.09    -0.00   0.01  -0.03
     7   6    -0.07  -0.04  -0.00     0.01   0.01   0.00     0.02   0.01  -0.01
     8   6     0.21   0.08  -0.04    -0.04  -0.01  -0.02     0.02  -0.06  -0.05
     9   6    -0.06  -0.06   0.07     0.01   0.00   0.01    -0.05   0.05   0.06
    10   1     0.01  -0.01  -0.04    -0.04   0.08  -0.34     0.03  -0.10   0.54
    11   1     0.01   0.04  -0.17    -0.04   0.09  -0.40    -0.03   0.11  -0.49
    12   1     0.08   0.01   0.19     0.05  -0.13   0.55    -0.05   0.07  -0.35
    13   1     0.03   0.00  -0.00     0.06  -0.11   0.51     0.02  -0.05   0.26
    14   1    -0.31  -0.13   0.00    -0.03   0.00  -0.00     0.00  -0.13   0.08
    15   6    -0.03  -0.04   0.02     0.02   0.01  -0.01     0.02   0.03   0.01
    16   1    -0.16   0.16  -0.03     0.08   0.02  -0.00     0.09   0.03  -0.03
    17   1     0.32   0.12  -0.35    -0.07  -0.06   0.09     0.03  -0.22  -0.00
    18   1    -0.31  -0.19  -0.14    -0.01  -0.01  -0.01    -0.09   0.03   0.01
    19   1    -0.30   0.25   0.07     0.09   0.03  -0.02    -0.11   0.09   0.06
    20   1     0.04   0.07  -0.04    -0.05  -0.02   0.00     0.01  -0.12   0.10
    21   1    -0.02   0.14  -0.10     0.02  -0.08   0.10     0.01  -0.10   0.02
    22   1     0.17  -0.10   0.22    -0.08   0.04  -0.08    -0.10   0.05  -0.20
                     22                     23                     24
                      A                      A                      A
 Frequencies --    963.4952               974.4968              1034.1675
 Red. masses --      1.6491                 2.0352                 1.7264
 Frc consts  --      0.9020                 1.1387                 1.0878
 IR Inten    --      0.5368                 0.6672                 2.2682
 RamAct Fr= 1--      2.6416                 5.1569                 8.8153
  Dep-P Fr= 1--      0.3190                 0.7136                 0.1714
  Dep-U Fr= 1--      0.4837                 0.8328                 0.2926
 Alpha2 Fr= 1--      0.0256                 0.0032                 0.1290
 Beta2  Fr= 1--      0.2130                 0.7158                 0.4299
 AlphaG Fr= 1--     -0.0725                -0.0098                 0.1726
 Gamma2 Fr= 1--      1.0984                -1.2928                -1.2011
 Delta2 Fr= 1--     -0.2540                -1.0900                -0.7798
 Raman1 Fr= 1--      10.566                 20.628                 35.261
 ROA1   Fr= 1--      97.320               -158.992               -140.257
 CID1   Fr= 1--       9.211                 -7.708                 -3.978
 Raman2 Fr= 1--       2.556                  8.590                  5.158
 ROA2   Fr= 1--      28.393                -22.308                -22.587
 CID2   Fr= 1--      11.110                 -2.597                 -4.379
 Raman3 Fr= 1--       5.111                 17.179                 10.317
 ROA3   Fr= 1--      97.320               -158.992               -140.257
 CID3   Fr= 1--      19.041                 -9.255                -13.595
 RC180  Fr= 1--      -0.033                  0.666                 -0.415
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.05     0.03   0.02  -0.01     0.03   0.04   0.01
     2   6     0.02   0.01  -0.06    -0.03   0.01  -0.00     0.00   0.02   0.00
     3   6    -0.01   0.00  -0.03     0.01   0.00   0.00     0.00  -0.03   0.00
     4   6     0.01  -0.00  -0.00    -0.04   0.01   0.02    -0.07   0.05  -0.03
     5   6    -0.01   0.01  -0.02     0.00  -0.00  -0.07    -0.01  -0.02   0.04
     6   6     0.00  -0.00   0.05     0.02  -0.04   0.03     0.02  -0.08  -0.03
     7   6     0.03   0.00  -0.01    -0.08   0.09  -0.10    -0.04   0.13   0.01
     8   6     0.04  -0.11  -0.08    -0.10   0.05  -0.03     0.05  -0.08   0.02
     9   6    -0.08   0.09   0.09     0.09  -0.11   0.05    -0.05   0.03  -0.03
    10   1    -0.07   0.09  -0.31     0.07  -0.02   0.03    -0.01   0.09  -0.01
    11   1     0.06  -0.07   0.37    -0.02  -0.00   0.03     0.02   0.06   0.04
    12   1     0.00  -0.05   0.21     0.02   0.02  -0.03     0.01  -0.02  -0.03
    13   1    -0.05   0.07  -0.31     0.03   0.01  -0.17     0.05  -0.08  -0.02
    14   1     0.03  -0.21   0.13    -0.18   0.05  -0.10    -0.26   0.38  -0.21
    15   6     0.02   0.06   0.00     0.09  -0.03   0.12     0.09  -0.05  -0.00
    16   1     0.15   0.02  -0.05     0.05   0.48   0.07    -0.06  -0.29  -0.03
    17   1     0.05  -0.36  -0.00    -0.12  -0.23   0.13     0.13  -0.20  -0.17
    18   1    -0.17   0.06   0.04     0.11  -0.30  -0.35    -0.09   0.12   0.15
    19   1    -0.15   0.14   0.10     0.04   0.30  -0.02    -0.10  -0.14   0.02
    20   1     0.03  -0.18   0.16     0.01  -0.15   0.18    -0.22   0.16  -0.20
    21   1     0.00  -0.16   0.01     0.08  -0.20   0.26     0.13  -0.11   0.47
    22   1    -0.15   0.08  -0.33    -0.08   0.01  -0.07    -0.11   0.06   0.17
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1050.7923              1089.0788              1106.4114
 Red. masses --      2.2062                 1.8019                 1.6694
 Frc consts  --      1.4353                 1.2592                 1.2041
 IR Inten    --      3.2533                 3.2263                 0.9320
 RamAct Fr= 1--     37.3171                 6.7381                 0.3295
  Dep-P Fr= 1--      0.0347                 0.3884                 0.3761
  Dep-U Fr= 1--      0.0670                 0.5595                 0.5466
 Alpha2 Fr= 1--      0.7644                 0.0520                 0.0027
 Beta2  Fr= 1--      0.4169                 0.6283                 0.0300
 AlphaG Fr= 1--      0.0014                -0.0146                -0.0006
 Gamma2 Fr= 1--      0.4490                -0.3243                -0.5866
 Delta2 Fr= 1--      0.2383                 1.6189                -0.4279
 Raman1 Fr= 1--     149.268                 26.953                  1.318
 ROA1   Fr= 1--      50.730                 20.673                -70.011
 CID1   Fr= 1--       0.340                  0.767                -53.124
 Raman2 Fr= 1--       5.003                  7.539                  0.360
 ROA2   Fr= 1--       8.870                -20.734                -10.656
 CID2   Fr= 1--       1.773                 -2.750                -29.586
 Raman3 Fr= 1--      10.006                 15.079                  0.720
 ROA3   Fr= 1--      50.730                 20.673                -70.011
 CID3   Fr= 1--       5.070                  1.371                -97.190
 RC180  Fr= 1--      -0.866                  0.119                  0.093
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.16  -0.02     0.02   0.02  -0.00     0.01   0.03   0.01
     2   6    -0.16   0.09   0.04    -0.02   0.01   0.00    -0.03   0.03   0.01
     3   6     0.11  -0.07  -0.02     0.01  -0.04   0.01     0.03  -0.07  -0.02
     4   6     0.02   0.02  -0.00    -0.04   0.04  -0.05    -0.05   0.05  -0.00
     5   6     0.03  -0.01  -0.01     0.02   0.03  -0.04     0.02   0.04   0.08
     6   6     0.07   0.11   0.02     0.01  -0.03   0.01     0.02  -0.07  -0.04
     7   6    -0.01   0.02   0.00     0.01  -0.10   0.15    -0.02  -0.07  -0.06
     8   6    -0.01  -0.02  -0.00    -0.01   0.05  -0.03     0.04   0.01   0.07
     9   6    -0.02   0.00   0.00     0.02  -0.03   0.06    -0.03  -0.00  -0.09
    10   1     0.01  -0.30  -0.06     0.00   0.04   0.01    -0.08   0.13   0.02
    11   1    -0.12   0.29   0.08    -0.02   0.02   0.01     0.02   0.17   0.05
    12   1     0.57   0.04  -0.06     0.03  -0.00  -0.10     0.17  -0.05   0.01
    13   1     0.53   0.23  -0.01    -0.02  -0.02  -0.09    -0.01  -0.10   0.04
    14   1    -0.06   0.04  -0.02    -0.31  -0.23   0.15    -0.15  -0.34   0.08
    15   6     0.00  -0.01   0.00     0.05   0.04  -0.12     0.03   0.06   0.03
    16   1     0.01  -0.03  -0.01     0.13  -0.06  -0.05    -0.23   0.22   0.11
    17   1    -0.01  -0.05   0.00    -0.14   0.36   0.19     0.07   0.27  -0.10
    18   1    -0.08   0.00   0.02    -0.21  -0.12  -0.07     0.37   0.09   0.02
    19   1    -0.02  -0.01   0.01     0.29   0.17  -0.05    -0.33  -0.19   0.03
    20   1    -0.02   0.02  -0.02    -0.28   0.10  -0.22     0.02  -0.19   0.18
    21   1     0.01   0.01   0.03     0.07  -0.14   0.30     0.01  -0.17   0.03
    22   1     0.01  -0.00   0.04    -0.24   0.16  -0.14    -0.12   0.07  -0.28
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1119.8222              1182.2712              1183.3276
 Red. masses --      1.8852                 1.1352                 1.9750
 Frc consts  --      1.3929                 0.9349                 1.6294
 IR Inten    --      1.6742                 0.1317                 1.1567
 RamAct Fr= 1--      1.5737                 5.2431                 1.3815
  Dep-P Fr= 1--      0.4511                 0.3753                 0.3613
  Dep-U Fr= 1--      0.6217                 0.5457                 0.5308
 Alpha2 Fr= 1--      0.0096                 0.0423                 0.0117
 Beta2  Fr= 1--      0.1631                 0.4769                 0.1222
 AlphaG Fr= 1--      0.0078                -0.0340                -0.0108
 Gamma2 Fr= 1--     -0.2894                -0.4718                 0.6824
 Delta2 Fr= 1--      0.0807                -0.0330                 0.2723
 Raman1 Fr= 1--       6.295                 20.973                  5.526
 ROA1   Fr= 1--     -25.204                -46.346                 74.225
 CID1   Fr= 1--      -4.004                 -2.210                 13.432
 Raman2 Fr= 1--       1.957                  5.723                  1.467
 ROA2   Fr= 1--      -7.592                -11.059                 14.199
 CID2   Fr= 1--      -3.880                 -1.932                  9.682
 Raman3 Fr= 1--       3.913                 11.445                  2.933
 ROA3   Fr= 1--     -25.204                -46.346                 74.225
 CID3   Fr= 1--      -6.440                 -4.049                 25.305
 RC180  Fr= 1--       0.243                  0.091                  0.062
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05  -0.01     0.03  -0.05  -0.01    -0.09  -0.01   0.01
     2   6    -0.00  -0.05  -0.01     0.01   0.06   0.01     0.08   0.01  -0.01
     3   6    -0.06   0.11   0.03    -0.02  -0.02  -0.00     0.07   0.04   0.01
     4   6     0.00  -0.06  -0.04     0.03  -0.01  -0.01     0.13  -0.05  -0.05
     5   6     0.00  -0.09   0.02     0.01   0.00   0.01    -0.09  -0.12   0.01
     6   6     0.01   0.12   0.02    -0.03   0.01   0.00    -0.07   0.01   0.01
     7   6    -0.08  -0.05   0.02    -0.01   0.01   0.01    -0.04  -0.01   0.08
     8   6     0.01   0.05   0.06    -0.00   0.00  -0.00    -0.02   0.07  -0.01
     9   6     0.04   0.04  -0.07    -0.00  -0.00  -0.01     0.05   0.02  -0.02
    10   1     0.29  -0.31  -0.11     0.37  -0.41  -0.13    -0.37   0.28   0.09
    11   1    -0.11  -0.41  -0.06     0.17   0.59   0.11     0.15   0.23   0.04
    12   1    -0.25   0.07   0.03    -0.33  -0.09   0.01     0.37   0.12  -0.03
    13   1     0.29   0.19   0.03    -0.37  -0.08   0.03    -0.28  -0.05   0.03
    14   1    -0.15  -0.08   0.02    -0.08  -0.02   0.01    -0.21  -0.06   0.07
    15   6     0.06   0.04  -0.01     0.00  -0.00  -0.00     0.01  -0.01  -0.04
    16   1    -0.13   0.07   0.06    -0.01   0.03   0.01     0.01   0.20   0.02
    17   1     0.11  -0.15  -0.13     0.00  -0.04  -0.00     0.06  -0.39  -0.05
    18   1     0.01   0.11   0.10     0.01   0.00   0.01     0.28   0.04  -0.04
    19   1    -0.13  -0.13   0.01    -0.05  -0.01   0.01    -0.11  -0.01   0.02
    20   1    -0.12  -0.07   0.02    -0.01   0.01  -0.01    -0.10   0.07  -0.11
    21   1     0.06  -0.19   0.21     0.00   0.00   0.01     0.02   0.01   0.08
    22   1    -0.19   0.12  -0.20    -0.01   0.00   0.00    -0.05   0.03   0.04
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1191.2683              1218.0960              1231.3432
 Red. masses --      1.3161                 1.4674                 2.0955
 Frc consts  --      1.1004                 1.2828                 1.8719
 IR Inten    --      1.0313                 0.3831                 1.0687
 RamAct Fr= 1--      3.2410                 3.2432                31.1669
  Dep-P Fr= 1--      0.7399                 0.4958                 0.0922
  Dep-U Fr= 1--      0.8505                 0.6629                 0.1688
 Alpha2 Fr= 1--      0.0006                 0.0163                 0.5562
 Beta2  Fr= 1--      0.4594                 0.3583                 0.8768
 AlphaG Fr= 1--      0.0053                -0.0708                -0.0679
 Gamma2 Fr= 1--      0.3536                 0.7578                 0.5990
 Delta2 Fr= 1--     -0.0048                -1.3092                 0.7336
 Raman1 Fr= 1--      12.964                 12.973                124.668
 ROA1   Fr= 1--      33.793                 30.856                 80.982
 CID1   Fr= 1--       2.607                  2.378                  0.650
 Raman2 Fr= 1--       5.513                  4.300                 10.521
 ROA2   Fr= 1--       8.525                 28.662                  8.507
 CID2   Fr= 1--       1.546                  6.665                  0.809
 Raman3 Fr= 1--      11.025                  8.600                 21.042
 ROA3   Fr= 1--      33.793                 30.856                 80.982
 CID3   Fr= 1--       3.065                  3.588                  3.849
 RC180  Fr= 1--       0.701                  0.326                 -0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00     0.03   0.02   0.00    -0.07   0.00   0.01
     2   6     0.00  -0.02  -0.00    -0.04  -0.00   0.00    -0.07  -0.04  -0.00
     3   6    -0.02  -0.01   0.00    -0.01  -0.02  -0.00     0.04  -0.06  -0.01
     4   6     0.03   0.01  -0.02    -0.08   0.01   0.01     0.17  -0.01  -0.04
     5   6    -0.02  -0.00   0.04     0.06   0.06   0.04     0.15   0.11   0.02
     6   6     0.03   0.01  -0.01     0.03  -0.01  -0.01     0.03   0.06   0.01
     7   6     0.04   0.06   0.05     0.02  -0.04   0.09    -0.03   0.04   0.01
     8   6    -0.00  -0.04  -0.08    -0.03   0.04  -0.06    -0.02  -0.01   0.02
     9   6    -0.05   0.02   0.04     0.02  -0.04  -0.03    -0.02  -0.06  -0.04
    10   1     0.05  -0.06  -0.03     0.09  -0.04  -0.02    -0.24   0.17   0.06
    11   1    -0.02  -0.11  -0.01    -0.06  -0.06  -0.00    -0.16  -0.29  -0.04
    12   1    -0.28  -0.07   0.01     0.08   0.01  -0.01    -0.38  -0.17  -0.00
    13   1     0.29   0.07  -0.01    -0.07  -0.04   0.02    -0.33  -0.02   0.04
    14   1    -0.27  -0.09   0.07     0.52   0.10   0.13    -0.46  -0.05  -0.04
    15   6    -0.02  -0.04  -0.02    -0.01  -0.02  -0.06    -0.00  -0.01   0.01
    16   1     0.11   0.14  -0.03     0.05   0.33   0.01    -0.09   0.09   0.05
    17   1    -0.11   0.19   0.13     0.02  -0.42  -0.00    -0.01  -0.08   0.00
    18   1     0.65  -0.01  -0.18    -0.04  -0.03  -0.00    -0.34  -0.05   0.08
    19   1    -0.25   0.05   0.09    -0.51  -0.03   0.11    -0.22  -0.08   0.02
    20   1    -0.01   0.11  -0.11    -0.08   0.11  -0.16     0.00   0.01   0.00
    21   1    -0.00   0.12  -0.02     0.01   0.05   0.05    -0.00   0.04  -0.02
    22   1     0.05  -0.04   0.13    -0.01   0.00   0.10    -0.01  -0.00   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1286.8336              1301.5566              1325.3364
 Red. masses --      1.3434                 2.3558                 1.5021
 Frc consts  --      1.3107                 2.3514                 1.5546
 IR Inten    --      1.4830                 0.2740                 0.4215
 RamAct Fr= 1--      4.2302                 8.6184                 2.3911
  Dep-P Fr= 1--      0.2454                 0.1476                 0.6943
  Dep-U Fr= 1--      0.3941                 0.2572                 0.8196
 Alpha2 Fr= 1--      0.0508                 0.1340                 0.0023
 Beta2  Fr= 1--      0.2778                 0.3695                 0.3266
 AlphaG Fr= 1--     -0.0789                 0.0292                -0.0041
 Gamma2 Fr= 1--      2.5911                -1.3173                 0.5036
 Delta2 Fr= 1--     -0.0886                 0.3383                 0.7943
 Raman1 Fr= 1--      16.921                 34.473                  9.564
 ROA1   Fr= 1--     245.907               -115.640                 73.767
 CID1   Fr= 1--      14.533                 -3.354                  7.713
 Raman2 Fr= 1--       3.334                  4.434                  3.919
 ROA2   Fr= 1--      62.895                -34.322                  5.733
 CID2   Fr= 1--      18.864                 -7.741                  1.463
 Raman3 Fr= 1--       6.668                  8.867                  7.839
 ROA3   Fr= 1--     245.907               -115.640                 73.767
 CID3   Fr= 1--      36.878                -13.041                  9.411
 RC180  Fr= 1--      -0.212                 -0.486                  0.639
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02  -0.01    -0.07   0.05   0.02    -0.02   0.04   0.01
     2   6     0.02   0.01  -0.00    -0.03  -0.09  -0.02    -0.02   0.01   0.00
     3   6    -0.02  -0.03  -0.00     0.10   0.01  -0.01    -0.02   0.02   0.01
     4   6    -0.01   0.09   0.01     0.04  -0.09  -0.01    -0.05  -0.10  -0.01
     5   6    -0.05   0.01  -0.01    -0.07   0.15   0.02     0.06  -0.02  -0.02
     6   6    -0.02  -0.04  -0.00     0.09   0.01  -0.00     0.04   0.04   0.00
     7   6     0.09   0.02   0.01    -0.12  -0.03   0.01     0.00   0.08   0.01
     8   6    -0.02   0.00   0.05     0.07   0.06   0.01     0.03  -0.09   0.01
     9   6    -0.02  -0.00  -0.05    -0.15  -0.05   0.02    -0.06   0.03  -0.01
    10   1    -0.05   0.05   0.02     0.02  -0.04  -0.01     0.18  -0.16  -0.05
    11   1     0.03   0.05   0.00     0.06   0.18   0.03    -0.07  -0.18  -0.03
    12   1    -0.22  -0.08   0.00    -0.27  -0.09   0.01     0.40   0.12  -0.01
    13   1     0.33   0.05  -0.03     0.10   0.01  -0.01    -0.43  -0.08   0.02
    14   1    -0.13  -0.29   0.17     0.40   0.14   0.04    -0.02  -0.17   0.17
    15   6    -0.03  -0.02  -0.02     0.04   0.00  -0.01     0.00  -0.03  -0.01
    16   1    -0.18   0.41   0.15    -0.04  -0.01  -0.02    -0.16   0.46   0.13
    17   1     0.10  -0.40  -0.11     0.17  -0.21  -0.14    -0.01   0.18   0.01
    18   1    -0.18   0.04   0.07     0.36  -0.06  -0.12     0.05   0.06   0.02
    19   1     0.40  -0.10  -0.14     0.51   0.01  -0.17     0.32  -0.06  -0.09
    20   1     0.03   0.08  -0.07    -0.11  -0.03  -0.02    -0.01   0.07  -0.08
    21   1    -0.01   0.08  -0.02     0.03  -0.07   0.08     0.02   0.08   0.04
    22   1     0.06  -0.04   0.06    -0.09   0.06   0.00    -0.01  -0.01   0.08
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1348.3103              1353.5243              1362.6206
 Red. masses --      1.4479                 1.3919                 3.2013
 Frc consts  --      1.5508                 1.5024                 3.5020
 IR Inten    --      0.9234                 2.1239                 4.1432
 RamAct Fr= 1--      0.6707                 7.6368                 8.0685
  Dep-P Fr= 1--      0.3976                 0.6084                 0.0798
  Dep-U Fr= 1--      0.5690                 0.7565                 0.1479
 Alpha2 Fr= 1--      0.0050                 0.0199                 0.1484
 Beta2  Fr= 1--      0.0636                 0.9629                 0.1989
 AlphaG Fr= 1--      0.0102                -0.0482                -0.0394
 Gamma2 Fr= 1--     -0.3517                -1.3211                -0.8138
 Delta2 Fr= 1--     -0.2217                 0.2400                -0.4148
 Raman1 Fr= 1--       2.683                 30.547                 32.274
 ROA1   Fr= 1--     -40.859               -119.151                -91.400
 CID1   Fr= 1--     -15.231                 -3.901                 -2.832
 Raman2 Fr= 1--       0.763                 11.555                  2.386
 ROA2   Fr= 1--      -6.668                -33.627                -16.212
 CID2   Fr= 1--      -8.737                 -2.910                 -6.793
 Raman3 Fr= 1--       1.526                 23.109                  4.773
 ROA3   Fr= 1--     -40.859               -119.151                -91.400
 CID3   Fr= 1--     -26.769                 -5.156                -19.150
 RC180  Fr= 1--       0.138                  0.513                 -0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00     0.02  -0.01  -0.00     0.08  -0.14  -0.04
     2   6     0.01  -0.03  -0.01    -0.00   0.03   0.01     0.02   0.15   0.03
     3   6     0.05   0.02  -0.00    -0.03  -0.01   0.00    -0.12  -0.03   0.00
     4   6     0.03  -0.00   0.00    -0.01   0.01  -0.01     0.13   0.14   0.04
     5   6    -0.06   0.00   0.00     0.03  -0.01  -0.00     0.16  -0.07  -0.03
     6   6    -0.02  -0.00   0.00    -0.00  -0.00   0.00    -0.13  -0.02   0.01
     7   6    -0.07  -0.02   0.03     0.06  -0.11   0.08    -0.16  -0.00  -0.01
     8   6     0.03  -0.13  -0.03     0.01   0.00  -0.03     0.04  -0.01  -0.01
     9   6     0.07   0.03  -0.02    -0.06  -0.00   0.00    -0.12  -0.01   0.02
    10   1    -0.10   0.09   0.03     0.04  -0.03  -0.01    -0.25   0.20   0.07
    11   1     0.08   0.18   0.03    -0.04  -0.09  -0.02    -0.11  -0.24  -0.04
    12   1    -0.20  -0.04   0.01     0.10   0.02  -0.02    -0.03  -0.02   0.02
    13   1     0.22   0.06  -0.01    -0.06  -0.02  -0.00     0.01   0.02   0.01
    14   1     0.22   0.29  -0.10    -0.30   0.59  -0.50     0.57   0.04   0.16
    15   6     0.02  -0.00   0.01    -0.03   0.06   0.03     0.05  -0.01  -0.01
    16   1    -0.11   0.55   0.12     0.01   0.28   0.04    -0.08   0.06  -0.00
    17   1    -0.10   0.44   0.09     0.05  -0.15  -0.05     0.00   0.09   0.04
    18   1    -0.29   0.06   0.11     0.17   0.01  -0.03     0.33  -0.02  -0.10
    19   1    -0.08   0.01   0.03     0.19  -0.02  -0.06     0.27  -0.05  -0.07
    20   1    -0.08   0.02  -0.03     0.07  -0.08   0.13    -0.17  -0.02  -0.05
    21   1     0.01   0.02  -0.06    -0.06  -0.07  -0.13     0.04  -0.04   0.05
    22   1    -0.09   0.04  -0.05     0.06  -0.01  -0.13    -0.11   0.07   0.06
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1409.0603              1484.0609              1492.4870
 Red. masses --      1.2192                 1.1113                 1.3594
 Frc consts  --      1.4262                 1.4421                 1.7841
 IR Inten    --      4.2781                 1.1644                 8.7316
 RamAct Fr= 1--      0.6018                12.9949                 3.6423
  Dep-P Fr= 1--      0.7229                 0.6135                 0.5812
  Dep-U Fr= 1--      0.8392                 0.7605                 0.7351
 Alpha2 Fr= 1--      0.0003                 0.0326                 0.0115
 Beta2  Fr= 1--      0.0842                 1.6471                 0.4463
 AlphaG Fr= 1--     -0.0029                -0.0212                -0.0126
 Gamma2 Fr= 1--      0.1151                 0.3166                -2.7492
 Delta2 Fr= 1--      0.1330                 1.4973                 2.5428
 Raman1 Fr= 1--       2.407                 51.980                 14.569
 ROA1   Fr= 1--      15.309                 78.310               -182.551
 CID1   Fr= 1--       6.359                  1.507                -12.530
 Raman2 Fr= 1--       1.010                 19.765                  5.355
 ROA2   Fr= 1--       1.699                 -4.380                -86.323
 CID2   Fr= 1--       1.682                 -0.222                -16.120
 Raman3 Fr= 1--       2.020                 39.530                 10.710
 ROA3   Fr= 1--      15.309                 78.310               -182.551
 CID3   Fr= 1--       7.578                  1.981                -17.044
 RC180  Fr= 1--       0.678                  0.521                  0.470
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00    -0.01   0.01   0.00     0.08  -0.04  -0.02
     2   6    -0.00  -0.00  -0.00     0.02   0.01   0.00    -0.05  -0.06  -0.01
     3   6     0.01   0.00   0.00    -0.02  -0.01   0.00    -0.00   0.05   0.01
     4   6     0.01  -0.00  -0.00     0.02  -0.01  -0.00    -0.04  -0.04  -0.01
     5   6     0.00  -0.00  -0.00    -0.01   0.02   0.00     0.07  -0.01  -0.01
     6   6    -0.01   0.00   0.00    -0.01  -0.02  -0.00    -0.02   0.04   0.01
     7   6    -0.01   0.00   0.01    -0.00   0.01  -0.00    -0.01  -0.00   0.00
     8   6     0.01  -0.02  -0.01     0.04   0.01  -0.02    -0.00  -0.00   0.00
     9   6     0.00   0.01   0.00    -0.00  -0.06  -0.03    -0.02  -0.02  -0.00
    10   1    -0.03   0.02   0.01     0.06  -0.05  -0.02    -0.20   0.25   0.07
    11   1     0.01   0.02   0.00     0.00  -0.04  -0.01     0.05   0.29   0.06
    12   1    -0.05  -0.01  -0.00     0.08   0.01  -0.01    -0.05   0.05   0.02
    13   1     0.01   0.01   0.00     0.07   0.00  -0.00     0.02   0.06   0.01
    14   1     0.02   0.01   0.01    -0.01  -0.01   0.01    -0.01   0.01  -0.01
    15   6    -0.05   0.06  -0.11    -0.00   0.01   0.01    -0.04  -0.03   0.00
    16   1    -0.05   0.06   0.01    -0.38  -0.07  -0.04     0.04  -0.00   0.00
    17   1    -0.03   0.04   0.05    -0.11  -0.10   0.36     0.01   0.02  -0.04
    18   1    -0.02  -0.01  -0.02     0.10   0.23   0.48     0.09   0.08   0.15
    19   1    -0.00  -0.03   0.01    -0.03   0.53  -0.11     0.02   0.17  -0.04
    20   1     0.28  -0.40   0.28    -0.08   0.05  -0.04     0.52   0.27  -0.07
    21   1    -0.00  -0.25   0.51    -0.03  -0.18  -0.05     0.04   0.22   0.38
    22   1     0.34  -0.04   0.45     0.15  -0.06  -0.01    -0.02  -0.07  -0.37
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1496.6105              1500.8527              1503.6563
 Red. masses --      1.2529                 1.2414                 1.1328
 Frc consts  --      1.6534                 1.6475                 1.5091
 IR Inten    --      3.5788                 5.7392                 1.6650
 RamAct Fr= 1--     10.2958                 2.7979                 6.0859
  Dep-P Fr= 1--      0.7086                 0.4761                 0.3925
  Dep-U Fr= 1--      0.8295                 0.6450                 0.5637
 Alpha2 Fr= 1--      0.0074                 0.0154                 0.0463
 Beta2  Fr= 1--      1.4233                 0.3008                 0.5718
 AlphaG Fr= 1--      0.0181                -0.0284                -0.0520
 Gamma2 Fr= 1--     -0.3828                 2.3573                 0.7971
 Delta2 Fr= 1--     -0.7185                 0.2632                -3.9870
 Raman1 Fr= 1--      41.183                 11.192                 24.343
 ROA1   Fr= 1--     -59.735                234.727                -51.065
 CID1   Fr= 1--      -1.450                 20.973                 -2.098
 Raman2 Fr= 1--      17.080                  3.610                  6.861
 ROA2   Fr= 1--      -3.438                 54.470                 51.025
 CID2   Fr= 1--      -0.201                 15.090                  7.437
 Raman3 Fr= 1--      34.160                  7.219                 13.722
 ROA3   Fr= 1--     -59.735                234.727                -51.065
 CID3   Fr= 1--      -1.749                 32.514                 -3.721
 RC180  Fr= 1--       0.659                  0.290                  0.127
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.03   0.01    -0.06   0.01   0.01     0.03  -0.02  -0.01
     2   6     0.05   0.06   0.01     0.03   0.06   0.01    -0.02  -0.02  -0.00
     3   6    -0.01  -0.04  -0.01     0.03  -0.03  -0.01    -0.00   0.02   0.00
     4   6     0.05   0.02   0.00     0.03   0.04   0.01    -0.02  -0.01  -0.00
     5   6    -0.04   0.02   0.01    -0.05  -0.01   0.00     0.03  -0.00  -0.01
     6   6    -0.01  -0.04  -0.01     0.03  -0.03  -0.01    -0.00   0.02   0.00
     7   6    -0.01  -0.02  -0.00    -0.04  -0.00   0.01     0.01   0.02   0.00
     8   6    -0.02  -0.00   0.01    -0.02  -0.01   0.01    -0.06  -0.02   0.03
     9   6     0.01  -0.03  -0.01     0.01  -0.00   0.00    -0.01  -0.04  -0.01
    10   1     0.15  -0.19  -0.06     0.09  -0.16  -0.04    -0.07   0.09   0.03
    11   1    -0.03  -0.23  -0.04    -0.06  -0.25  -0.05     0.01   0.09   0.02
    12   1     0.08  -0.03  -0.01    -0.05  -0.05  -0.01    -0.02   0.02   0.00
    13   1     0.03  -0.04  -0.01    -0.08  -0.06  -0.01    -0.01   0.02   0.01
    14   1     0.02   0.04  -0.04     0.10  -0.00   0.05    -0.02  -0.04   0.04
    15   6    -0.00  -0.03  -0.03    -0.03   0.01   0.02     0.01   0.02  -0.01
    16   1     0.18   0.03   0.02     0.23   0.06   0.03     0.50   0.10   0.05
    17   1     0.05   0.05  -0.17     0.06   0.09  -0.21     0.13   0.13  -0.48
    18   1     0.02   0.09   0.22    -0.01   0.00   0.01     0.09   0.14   0.30
    19   1    -0.02   0.24  -0.05     0.00   0.01   0.00    -0.00   0.33  -0.07
    20   1     0.33  -0.15   0.14     0.18   0.38  -0.19    -0.27  -0.12   0.02
    21   1     0.08   0.52   0.22    -0.03  -0.34   0.21    -0.03  -0.17  -0.18
    22   1    -0.40   0.17   0.04     0.40  -0.24  -0.37     0.08   0.01   0.20
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1517.2297              1628.6253              1650.3698
 Red. masses --      2.3418                 6.1958                 6.3413
 Frc consts  --      3.1762                 9.6826                10.1764
 IR Inten    --     17.5775                 0.8507                 0.8250
 RamAct Fr= 1--      1.4769                13.0450                21.0393
  Dep-P Fr= 1--      0.5967                 0.6686                 0.7419
  Dep-U Fr= 1--      0.7474                 0.8014                 0.8518
 Alpha2 Fr= 1--      0.0042                 0.0189                 0.0029
 Beta2  Fr= 1--      0.1840                 1.7424                 2.9870
 AlphaG Fr= 1--     -0.0215                -0.0553                 0.0001
 Gamma2 Fr= 1--     -2.5488                 0.7932                -0.8294
 Delta2 Fr= 1--      0.3950                -1.2390                 1.3224
 Raman1 Fr= 1--       5.908                 52.180                 84.157
 ROA1   Fr= 1--    -232.050                 36.498                -37.306
 CID1   Fr= 1--     -39.279                  0.699                 -0.443
 Raman2 Fr= 1--       2.208                 20.908                 35.844
 ROA2   Fr= 1--     -64.332                 28.948                -30.485
 CID2   Fr= 1--     -29.139                  1.385                 -0.850
 Raman3 Fr= 1--       4.416                 41.817                 71.689
 ROA3   Fr= 1--    -232.050                 36.498                -37.306
 CID3   Fr= 1--     -52.553                  0.873                 -0.520
 RC180  Fr= 1--       0.495                  0.603                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.07  -0.01     0.15  -0.29  -0.08     0.19  -0.02  -0.02
     2   6    -0.06   0.05   0.02     0.00   0.32   0.07    -0.16  -0.11  -0.01
     3   6     0.16   0.04  -0.01    -0.00   0.16   0.03    -0.34  -0.09   0.01
     4   6    -0.11   0.11   0.04    -0.03  -0.30  -0.06     0.25   0.14   0.01
     5   6    -0.05  -0.16  -0.03    -0.17   0.25   0.07    -0.28  -0.00   0.03
     6   6     0.16   0.04  -0.01     0.08  -0.14  -0.04     0.34   0.08  -0.02
     7   6     0.03  -0.03  -0.01     0.02   0.03   0.00    -0.04  -0.02   0.00
     8   6     0.01   0.00  -0.01     0.02   0.00   0.00     0.00  -0.01  -0.00
     9   6     0.00   0.01  -0.00     0.03  -0.01  -0.01     0.04   0.00  -0.00
    10   1    -0.21   0.10   0.04    -0.36   0.23   0.09    -0.02   0.21   0.05
    11   1    -0.14  -0.19  -0.03    -0.22  -0.37  -0.06    -0.07   0.20   0.05
    12   1    -0.52  -0.12   0.03    -0.12   0.15   0.04     0.44   0.09  -0.02
    13   1    -0.51  -0.13   0.02    -0.05  -0.19  -0.04    -0.43  -0.12   0.02
    14   1     0.10   0.02  -0.02    -0.16  -0.02  -0.01     0.07   0.03  -0.01
    15   6     0.01  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00   0.01  -0.01
    16   1    -0.13  -0.02  -0.02    -0.02  -0.01   0.00    -0.01   0.03   0.01
    17   1    -0.04  -0.05   0.13     0.02   0.00  -0.00    -0.01   0.03   0.01
    18   1     0.14   0.11   0.14    -0.16  -0.06  -0.06    -0.07   0.00   0.02
    19   1     0.06   0.18  -0.04    -0.06  -0.08   0.03    -0.01   0.02  -0.00
    20   1    -0.03  -0.09   0.05    -0.01  -0.01   0.01     0.04  -0.00   0.00
    21   1     0.02   0.12  -0.05    -0.01  -0.00  -0.02     0.00  -0.01   0.06
    22   1    -0.13   0.07   0.07     0.01  -0.00   0.03     0.01  -0.00  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3017.7845              3026.5037              3031.6622
 Red. masses --      1.0695                 1.0359                 1.0798
 Frc consts  --      5.7387                 5.5903                 5.8471
 IR Inten    --     26.6820                31.5739                 7.1691
 RamAct Fr= 1--    126.2494               227.5585                71.0826
  Dep-P Fr= 1--      0.2216                 0.0166                 0.6257
  Dep-U Fr= 1--      0.3629                 0.0326                 0.7698
 Alpha2 Fr= 1--      1.6179                 4.8643                 0.1610
 Beta2  Fr= 1--      7.6350                 1.2380                 9.1197
 AlphaG Fr= 1--     -0.5812                -0.0032                -0.5148
 Gamma2 Fr= 1--     -4.2894                -2.7590                -6.6731
 Delta2 Fr= 1--     -7.1249                 0.1485                -4.5763
 Raman1 Fr= 1--     504.998                910.234                284.330
 ROA1   Fr= 1--    -639.778               -260.114               -787.055
 CID1   Fr= 1--      -1.267                 -0.286                 -2.768
 Raman2 Fr= 1--      91.620                 14.856                109.437
 ROA2   Fr= 1--     -45.945                -67.405               -123.543
 CID2   Fr= 1--      -0.501                 -4.537                 -1.129
 Raman3 Fr= 1--     183.239                 29.712                218.874
 ROA3   Fr= 1--    -639.778               -260.114               -787.055
 CID3   Fr= 1--      -3.491                 -8.755                 -3.596
 RC180  Fr= 1--      -0.274                 -0.935                  0.540
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.01    -0.00   0.00   0.01     0.02  -0.04  -0.06
     8   6     0.00  -0.00   0.01     0.01   0.00  -0.00    -0.01  -0.01   0.02
     9   6    -0.02  -0.03  -0.06    -0.00  -0.01  -0.01     0.00   0.01   0.00
    10   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    11   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.01  -0.00
    13   1     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1    -0.02   0.05   0.08     0.02  -0.05  -0.08    -0.19   0.48   0.71
    15   6     0.00  -0.00   0.01    -0.02   0.01  -0.04    -0.01   0.01   0.00
    16   1     0.00   0.02  -0.10     0.00  -0.01   0.06    -0.00   0.08  -0.36
    17   1    -0.06  -0.01  -0.02    -0.07  -0.01  -0.03     0.15   0.02   0.07
    18   1    -0.03   0.20  -0.12    -0.01   0.05  -0.03     0.01  -0.08   0.04
    19   1     0.24   0.15   0.90     0.04   0.02   0.15    -0.02  -0.01  -0.08
    20   1     0.02  -0.07  -0.10    -0.11   0.33   0.49     0.01  -0.02  -0.03
    21   1    -0.08   0.01   0.01     0.58  -0.06  -0.07     0.16  -0.01  -0.02
    22   1     0.03   0.07  -0.01    -0.20  -0.45   0.06    -0.06  -0.12   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3048.9135              3071.0655              3089.6775
 Red. masses --      1.0680                 1.0892                 1.1042
 Frc consts  --      5.8492                 6.0525                 6.2104
 IR Inten    --     39.8312                32.9652                27.1411
 RamAct Fr= 1--    184.9873               171.8352                72.9748
  Dep-P Fr= 1--      0.1286                 0.1769                 0.6826
  Dep-U Fr= 1--      0.2279                 0.3006                 0.8114
 Alpha2 Fr= 1--      3.0178                 2.4792                 0.0866
 Beta2  Fr= 1--      7.0268                 8.6100                 9.8682
 AlphaG Fr= 1--     -2.2756                 2.1103                -0.0859
 Gamma2 Fr= 1--      3.4368                18.0253               -17.3946
 Delta2 Fr= 1--     12.8593                 9.6910               -14.8803
 Raman1 Fr= 1--     739.949                687.341                291.899
 ROA1   Fr= 1--     741.431               2040.536              -2146.046
 CID1   Fr= 1--       1.002                  2.969                 -7.352
 Raman2 Fr= 1--      84.322                103.320                118.418
 ROA2   Fr= 1--     -20.391                355.078               -298.427
 CID2   Fr= 1--      -0.242                  3.437                 -2.520
 Raman3 Fr= 1--     168.644                206.640                236.836
 ROA3   Fr= 1--     741.431               2040.536              -2146.046
 CID3   Fr= 1--       4.396                  9.875                 -9.061
 RC180  Fr= 1--      -0.544                 -0.399                  0.623
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     7   6     0.01  -0.02  -0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.04   0.02  -0.05    -0.03  -0.01  -0.00    -0.05   0.00  -0.06
     9   6     0.00  -0.02   0.01     0.01  -0.06   0.05    -0.00   0.01  -0.02
    10   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   1     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    13   1     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.00   0.00  -0.00
    14   1    -0.08   0.22   0.32     0.01  -0.02  -0.02    -0.01   0.01   0.02
    15   6    -0.00   0.01   0.01     0.00  -0.00  -0.00     0.02   0.03   0.00
    16   1     0.00  -0.16   0.72    -0.00   0.02  -0.09    -0.01  -0.11   0.48
    17   1    -0.42  -0.06  -0.18     0.34   0.05   0.14     0.66   0.09   0.25
    18   1    -0.02   0.24  -0.12    -0.09   0.80  -0.40     0.02  -0.19   0.09
    19   1    -0.02  -0.02  -0.05    -0.05  -0.05  -0.17     0.04   0.03   0.14
    20   1     0.02  -0.06  -0.09    -0.01   0.03   0.04     0.03  -0.08  -0.13
    21   1     0.04  -0.00  -0.00    -0.04   0.00   0.00    -0.13   0.02   0.02
    22   1    -0.01  -0.00   0.00    -0.00  -0.01   0.00    -0.15  -0.34   0.05
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3089.9155              3095.2437              3159.2040
 Red. masses --      1.1019                 1.1020                 1.0859
 Frc consts  --      6.1986                 6.2202                 6.3854
 IR Inten    --     46.9860                37.5166                 8.1638
 RamAct Fr= 1--    113.6752                96.5795                18.5394
  Dep-P Fr= 1--      0.4808                 0.7497                 0.7032
  Dep-U Fr= 1--      0.6494                 0.8569                 0.8257
 Alpha2 Fr= 1--      0.6123                 0.0005                 0.0151
 Beta2  Fr= 1--     12.3032                13.7938                 2.5515
 AlphaG Fr= 1--      0.3134                -0.0001                 0.0364
 Gamma2 Fr= 1--     16.0760                -7.2395                 1.1001
 Delta2 Fr= 1--      9.9602                -4.4584                 0.4658
 Raman1 Fr= 1--     454.701                386.318                 74.158
 ROA1   Fr= 1--    1862.023               -837.658                120.519
 CID1   Fr= 1--       4.095                 -2.168                  1.625
 Raman2 Fr= 1--     147.638                165.525                 30.618
 ROA2   Fr= 1--     306.143               -138.081                 22.677
 CID2   Fr= 1--       2.074                 -0.834                  0.741
 Raman3 Fr= 1--     295.276                331.050                 61.235
 ROA3   Fr= 1--    1862.023               -837.658                120.519
 CID3   Fr= 1--       6.306                 -2.530                  1.968
 RC180  Fr= 1--       0.299                  0.714                  0.651
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.03   0.03   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.03   0.01   0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.05  -0.01
     4   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.04  -0.01
     7   6    -0.00   0.01   0.01     0.00  -0.01  -0.01     0.00  -0.00  -0.00
     8   6    -0.00  -0.00   0.00    -0.03   0.00  -0.03     0.00   0.00   0.00
     9   6     0.00  -0.00   0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
    10   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.33  -0.31  -0.03
    11   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.36  -0.10  -0.06
    12   1    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.14   0.64   0.15
    13   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.10   0.42   0.10
    14   1     0.04  -0.10  -0.14    -0.02   0.06   0.09    -0.00   0.00   0.01
    15   6    -0.07   0.03   0.05    -0.04  -0.07  -0.01    -0.00  -0.00  -0.00
    16   1     0.00   0.01  -0.03    -0.01  -0.05   0.22    -0.00   0.00  -0.00
    17   1     0.06   0.01   0.02     0.31   0.05   0.12    -0.00  -0.00  -0.00
    18   1    -0.00   0.03  -0.02     0.01  -0.08   0.04    -0.00   0.01  -0.00
    19   1    -0.01  -0.00  -0.02     0.02   0.01   0.07     0.00   0.00   0.00
    20   1     0.11  -0.37  -0.55    -0.08   0.19   0.30    -0.00   0.00   0.00
    21   1     0.71  -0.06  -0.07     0.29  -0.05  -0.04     0.00  -0.00  -0.00
    22   1     0.01   0.06   0.01     0.31   0.69  -0.10     0.00   0.01  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3164.0522              3176.7425              3190.6733
 Red. masses --      1.0884                 1.0918                 1.0965
 Frc consts  --      6.4197                 6.4914                 6.5769
 IR Inten    --      1.6939                26.1423                22.3365
 RamAct Fr= 1--    156.7825                71.4866               297.2563
  Dep-P Fr= 1--      0.5093                 0.7486                 0.1117
  Dep-U Fr= 1--      0.6749                 0.8563                 0.2010
 Alpha2 Fr= 1--      0.7408                 0.0016                 5.0569
 Beta2  Fr= 1--     17.6354                10.2018                 9.9563
 AlphaG Fr= 1--      0.1612                -0.0109                 0.4151
 Gamma2 Fr= 1--     -0.5220                 0.5337                 1.2521
 Delta2 Fr= 1--     -0.8673                -3.2658                 2.9968
 Raman1 Fr= 1--     627.130                285.946               1189.025
 ROA1   Fr= 1--     -77.868                -53.272                216.095
 CID1   Fr= 1--      -0.124                 -0.186                  0.182
 Raman2 Fr= 1--     211.624                122.422                119.475
 ROA2   Fr= 1--      -5.590                 38.935                  6.076
 CID2   Fr= 1--      -0.026                  0.318                  0.051
 Raman3 Fr= 1--     423.249                244.843                238.951
 ROA3   Fr= 1--     -77.868                -53.272                216.095
 CID3   Fr= 1--      -0.184                 -0.218                  0.904
 RC180  Fr= 1--       0.350                  0.713                 -0.598
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00     0.04   0.03   0.00    -0.04  -0.04  -0.00
     2   6    -0.03   0.01   0.00    -0.05   0.01   0.01    -0.06   0.02   0.01
     3   6    -0.01   0.05   0.01    -0.01   0.03   0.01     0.01  -0.02  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.02  -0.06  -0.01    -0.01   0.04   0.01    -0.00   0.02   0.01
     7   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     9   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    10   1     0.10   0.10   0.01    -0.43  -0.39  -0.04     0.48   0.45   0.05
    11   1     0.32  -0.09  -0.05     0.52  -0.14  -0.08     0.64  -0.18  -0.10
    12   1     0.12  -0.54  -0.13     0.09  -0.38  -0.09    -0.05   0.22   0.05
    13   1    -0.17   0.69   0.16     0.10  -0.43  -0.10     0.06  -0.24  -0.06
    14   1     0.00  -0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    18   1     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    22   1    -0.00  -0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Molecular mass:   132.09390 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   725.472361508.552942023.28571
           X            0.99997  -0.00668   0.00349
           Y            0.00669   0.99997  -0.00341
           Z           -0.00346   0.00343   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11939     0.05742     0.04281
 Rotational constants (GHZ):           2.48768     1.19634     0.89199
 Zero-point vibrational energy     504546.9 (Joules/Mol)
                                  120.58960 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    152.56   189.99   305.52   354.23   418.11
          (Kelvin)            525.67   594.26   642.83   771.30   799.00
                              862.74   962.02  1063.81  1098.12  1127.99
                             1133.64  1226.75  1265.71  1307.43  1347.70
                             1384.30  1386.25  1402.08  1487.94  1511.86
                             1566.94  1591.88  1611.17  1701.02  1702.54
                             1713.97  1752.57  1771.63  1851.47  1872.65
                             1906.86  1939.92  1947.42  1960.51  2027.32
                             2135.23  2147.36  2153.29  2159.39  2163.43
                             2182.96  2343.23  2374.51  4341.92  4354.46
                             4361.89  4386.71  4418.58  4445.36  4445.70
                             4453.37  4545.39  4552.37  4570.62  4590.67
 
 Zero-point correction=                           0.192172 (Hartree/Particle)
 Thermal correction to Energy=                    0.200469
 Thermal correction to Enthalpy=                  0.201413
 Thermal correction to Gibbs Free Energy=         0.159320
 Sum of electronic and zero-point Energies=           -388.291447
 Sum of electronic and thermal Energies=              -388.283150
 Sum of electronic and thermal Enthalpies=            -388.282206
 Sum of electronic and thermal Free Energies=         -388.324299
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  125.796             33.754             88.593
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.548
 Rotational               0.889              2.981             29.183
 Vibrational            124.019             27.792             18.862
 Vibration     1          0.605              1.944              3.340
 Vibration     2          0.612              1.921              2.916
 Vibration     3          0.643              1.822              2.023
 Vibration     4          0.661              1.769              1.758
 Vibration     5          0.687              1.691              1.470
 Vibration     6          0.739              1.544              1.099
 Vibration     7          0.777              1.442              0.916
 Vibration     8          0.806              1.368              0.806
 Vibration     9          0.891              1.170              0.574
 Vibration    10          0.911              1.128              0.533
 Vibration    11          0.958              1.033              0.450
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.522369D-73        -73.282023       -168.738093
 Total V=0       0.129054D+16         15.110772         34.793839
 Vib (Bot)       0.164337D-86        -86.784266       -199.828156
 Vib (Bot)    1  0.193311D+01          0.286256          0.659129
 Vib (Bot)    2  0.154301D+01          0.188369          0.433736
 Vib (Bot)    3  0.934438D+00         -0.029449         -0.067810
 Vib (Bot)    4  0.794157D+00         -0.100094         -0.230474
 Vib (Bot)    5  0.657839D+00         -0.181881         -0.418796
 Vib (Bot)    6  0.499876D+00         -0.301137         -0.693394
 Vib (Bot)    7  0.427378D+00         -0.369188         -0.850086
 Vib (Bot)    8  0.384823D+00         -0.414739         -0.954973
 Vib (Bot)    9  0.296636D+00         -0.527776         -1.215248
 Vib (Bot)   10  0.281144D+00         -0.551072         -1.268890
 Vib (Bot)   11  0.249113D+00         -0.603604         -1.389850
 Vib (V=0)       0.406003D+02          1.608529          3.703776
 Vib (V=0)    1  0.249672D+01          0.397370          0.914979
 Vib (V=0)    2  0.212200D+01          0.326745          0.752359
 Vib (V=0)    3  0.155980D+01          0.193069          0.444557
 Vib (V=0)    4  0.143845D+01          0.157894          0.363565
 Vib (V=0)    5  0.132629D+01          0.122638          0.282384
 Vib (V=0)    6  0.120702D+01          0.081714          0.188154
 Vib (V=0)    7  0.115776D+01          0.063620          0.146490
 Vib (V=0)    8  0.113094D+01          0.053441          0.123051
 Vib (V=0)    9  0.108137D+01          0.033975          0.078230
 Vib (V=0)   10  0.107362D+01          0.030851          0.071038
 Vib (V=0)   11  0.105862D+01          0.024740          0.056967
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.596730D+08          7.775778         17.904391
 Rotational      0.532678D+06          5.726465         13.185673
 
                                                          ROA calculations.
                                                             IR Spectrum
 
 333333333333                                                     11111111111111111111 11111                                         
 111100000000                                                     66555444433333222111 11000999998 87777  6  655   44 3  2 22  11    
 976599974321                                                     52100998065420831988 20853766308 58863  6  053   41 6  9 41  30    
 174950019278                                                     09741724934852718132 06914432790 38439  9  056   73 5  1 62  26    
 
 XXXXXXXXXXXX                                                     XXXXXXXXXXXXXXXXXXXX XXXXXXXXXX  XXXXX  X  XXX   XX X  X  X  X     
 XX XXXXXXXXX                                                       X XXX XX                         XXX           X                 
 XX XXXXXXXXX                                                       X   X                             XX           X                 
 XX  XXXXX XX                                                       X   X                             XX                             
 XX  XXXXX XX                                                       X                                 X                              
 XX  XXXXX XX                                                       X                                 X                              
 XX  XXXXX XX                                                       X                                 X                              
 XX  XXXXX XX                                                                                         X                              
 XX  XXXXX XX                                                                                         X                              
 XX  XXXXX XX                                                                                         X                              
  X  XXXXX XX                                                                                         X                              
     XXXXX X                                                                                          X                              
     XX XX X                                                                                          X                              
     XX XX                                                                                            X                              
     XX  X                                                                                            X                              
     XX  X                                                                                            X                              
      X  X                                                                                            X                              
      X                                                                                               X                              
      X                                                                                               X                              
      X                                                                                                                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000176   -0.000007274    0.000004377
      2        6           0.000008375   -0.000001666    0.000004004
      3        6          -0.000003316   -0.000002474    0.000002029
      4        6          -0.000006746    0.000019656   -0.000006706
      5        6          -0.000003354    0.000011821   -0.000011281
      6        6          -0.000003151   -0.000005708    0.000001043
      7        6          -0.000000539    0.000005637   -0.000015301
      8        6           0.000001566    0.000001599    0.000009947
      9        6           0.000004447   -0.000008549    0.000008247
     10        1           0.000000267    0.000000763    0.000000439
     11        1           0.000000010   -0.000000731   -0.000000503
     12        1          -0.000000227   -0.000001079   -0.000000359
     13        1          -0.000000236   -0.000000580   -0.000001319
     14        1           0.000000999   -0.000000119    0.000000321
     15        6           0.000000368   -0.000001152    0.000002625
     16        1           0.000006670    0.000001054    0.000000142
     17        1          -0.000005114   -0.000007381   -0.000000162
     18        1           0.000000950    0.000000875    0.000002638
     19        1          -0.000005898   -0.000002005   -0.000005927
     20        1           0.000003422   -0.000004208    0.000005303
     21        1           0.000003465    0.000001757    0.000001758
     22        1          -0.000002134   -0.000000236   -0.000001314
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000019656 RMS     0.000005248
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146995D+03  0.158416D+01 -0.236123D+01
      2   0.158416D+01  0.125435D+03  0.518434D+01
      3  -0.236123D+01  0.518434D+01  0.853153D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.268202D+01 -0.196174D+01  0.243557D+01
      2   0.974612D+01 -0.142132D+02  0.127294D+02
      3   0.137390D+01  0.328001D+02  0.116818D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.795268D+02 -0.123895D+02  0.853411D+01
      2   0.368573D+02  0.458930D+01 -0.571315D+01
      3   0.426695D+02  0.780018D+01 -0.282095D+01
      4  -0.216704D+02 -0.373855D+02 -0.301605D+02
      5   0.211490D+02 -0.306615D+02  0.354896D+02
      6  -0.130739D+02  0.650486D+01 -0.198798D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.112492D+01 -0.134885D+01 -0.702349D+00 -0.445439D+01  0.496587D+00
      2  -0.134885D+01 -0.234503D+01 -0.614552D+00  0.496587D+00 -0.219100D+01
      3  -0.702349D+00 -0.614552D+00 -0.240984D+01  0.104798D+01  0.998022D+00
                 6             7             8             9            10 
      1   0.104798D+01 -0.157112D+01  0.757668D+00 -0.381207D+01 -0.455048D+01
      2   0.998022D+00  0.757668D+00  0.129960D+01 -0.302876D+01  0.118100D+01
      3  -0.225581D+01 -0.381207D+01 -0.302876D+01 -0.886174D+00 -0.554902D+00
                11            12            13            14            15 
      1   0.118100D+01 -0.554902D+00  0.211459D+01  0.169284D+01  0.134327D+01
      2  -0.269639D+01  0.984202D-01  0.169284D+01  0.191682D+01 -0.654189D+00
      3   0.984202D-01 -0.296423D+01  0.134327D+01 -0.654189D+00  0.729457D+00
                16            17            18            19            20 
      1   0.118060D-01  0.142739D+01 -0.493361D+01 -0.800416D+00  0.367597D+01
      2   0.142739D+01  0.314038D+00  0.106806D+01  0.367597D+01  0.983213D+00
      3  -0.493361D+01  0.106806D+01  0.172767D+01  0.625941D+00 -0.397725D+00
                21            22            23            24            25 
      1   0.625941D+00 -0.521579D+01  0.610012D+00 -0.143471D+00 -0.726953D+00
      2  -0.397725D+00  0.610012D+00 -0.206047D+01  0.107258D+01 -0.113642D+01
      3   0.746515D+00 -0.143471D+00  0.107258D+01 -0.199827D+01 -0.284776D+00
                26            27            28            29            30 
      1  -0.113642D+01 -0.284776D+00  0.131822D+02 -0.398127D+01 -0.315445D+00
      2   0.117409D+01 -0.346253D+01 -0.398127D+01  0.443204D+01  0.164900D+00
      3  -0.346253D+01 -0.264074D+01 -0.315445D+00  0.164900D+00  0.196603D+01
                31            32            33            34            35 
      1  -0.850465D+01 -0.179460D+01 -0.485330D+00 -0.198096D+01 -0.106988D+01
      2  -0.179460D+01 -0.309936D+00  0.310174D-02 -0.106988D+01 -0.473868D+00
      3  -0.485330D+00  0.310174D-02 -0.110215D+00  0.307748D+01 -0.149283D+01
                36            37            38            39            40 
      1   0.307748D+01  0.278443D+01  0.366344D+01  0.828068D+00  0.122015D+02
      2  -0.149283D+01  0.366344D+01  0.626328D+01  0.122769D+01  0.302008D+01
      3  -0.157452D+01  0.828068D+00  0.122769D+01  0.199102D+01  0.982618D-01
                41            42            43            44            45 
      1   0.302008D+01  0.982618D-01  0.270017D+01  0.222867D+00  0.211655D+01
      2   0.481450D+01 -0.426822D+00  0.222867D+00 -0.129683D+01  0.233357D+01
      3  -0.426822D+00  0.104160D+01  0.211655D+01  0.233357D+01  0.549478D+00
                46            47            48            49            50 
      1   0.129217D+01 -0.316053D+01 -0.385352D+00  0.492992D+01 -0.585455D+00
      2  -0.316053D+01 -0.254288D+01  0.508217D+00 -0.585455D+00  0.119450D+01
      3  -0.385352D+00  0.508217D+00  0.158855D+00  0.202317D+00 -0.946594D+00
                51            52            53            54            55 
      1   0.202317D+00  0.460579D+00  0.111679D+01 -0.169749D+01 -0.261240D+01
      2  -0.946594D+00  0.111679D+01 -0.845549D+00  0.336725D+01  0.274665D+01
      3   0.228755D+01 -0.169749D+01  0.336725D+01  0.233834D+01 -0.185488D+00
                56            57            58            59            60 
      1   0.274665D+01 -0.185488D+00  0.405039D+01 -0.437752D+01  0.563331D+00
      2  -0.307325D+01  0.773660D+00 -0.437752D+01 -0.194960D+01  0.187921D+01
      3   0.773660D+00 -0.246329D+01  0.563331D+00  0.187921D+01  0.357926D+01
                61            62            63            64            65 
      1  -0.227080D+01  0.106201D+01 -0.458745D+01 -0.646082D+01 -0.204804D+01
      2   0.106201D+01  0.809460D+00  0.467665D+01 -0.204804D+01  0.180196D+01
      3  -0.458745D+01  0.467665D+01  0.170513D+01 -0.241118D+01  0.182420D+00
                66            67            68            69            70 
      1  -0.241118D+01 -0.183704D+01  0.166590D+01  0.396998D+00 -0.402898D+01
      2   0.182420D+00  0.166590D+01  0.317505D+01 -0.142582D+01  0.269215D-01
      3   0.538393D+00  0.396998D+00 -0.142582D+01 -0.155568D+01 -0.457263D+00
                71            72            73            74            75 
      1   0.269215D-01 -0.457263D+00 -0.208454D+01 -0.321115D+00 -0.227360D+00
      2  -0.362280D+00 -0.241175D+01 -0.321115D+00 -0.181720D+01 -0.188692D+01
      3  -0.241175D+01  0.606911D+01 -0.227360D+00 -0.188692D+01 -0.189503D+01
                76            77            78            79            80 
      1  -0.420457D+00 -0.356218D+01 -0.141846D+01 -0.154754D+01 -0.262189D+01
      2  -0.356218D+01 -0.802894D+01  0.176813D+01 -0.262189D+01  0.195400D+01
      3  -0.141846D+01  0.176813D+01 -0.119458D+01 -0.344310D+01 -0.325404D+01
                81            82            83            84            85 
      1  -0.344310D+01 -0.732262D+01 -0.452846D+01 -0.380625D+00 -0.449818D+01
      2  -0.325404D+01 -0.452846D+01 -0.345056D+01 -0.238162D+00 -0.445407D+01
      3  -0.477900D+01 -0.380625D+00 -0.238162D+00 -0.625312D+00 -0.642687D+00
                86            87            88            89            90 
      1  -0.445407D+01 -0.642687D+00 -0.253251D+00 -0.498876D+00 -0.502526D-01
      2  -0.505516D+01 -0.576560D+00 -0.498876D+00 -0.816915D+00 -0.107073D+00
      3  -0.576560D+00 -0.644408D+00 -0.502526D-01 -0.107073D+00 -0.763563D-01
                91            92            93            94            95 
      1  -0.126518D+02  0.242198D+01  0.156833D+01  0.248100D+01 -0.207274D+01
      2   0.242198D+01 -0.117419D+01 -0.301025D+00 -0.207274D+01  0.102587D+01
      3   0.156833D+01 -0.301025D+00 -0.985513D+00 -0.693851D+00  0.337802D+00
                96            97            98            99           100 
      1  -0.693851D+00  0.167959D+01 -0.674188D+00 -0.189659D+00  0.486550D+00
      2   0.337802D+00 -0.674188D+00  0.290694D+00  0.100971D+00 -0.139050D+01
      3   0.340031D+00 -0.189659D+00  0.100971D+00  0.203289D+00 -0.356784D+00
               101           102           103           104           105 
      1  -0.139050D+01 -0.356784D+00 -0.938132D+00  0.790096D+00  0.145020D+00
      2   0.140641D+01  0.489782D+00  0.790096D+00 -0.985820D+01 -0.218925D+01
      3   0.489782D+00  0.280314D+00  0.145020D+00 -0.218925D+01 -0.134479D+01
               106           107           108           109           110 
      1  -0.374583D+00  0.465068D+00  0.280049D-01 -0.140211D+01  0.189841D+01
      2   0.465068D+00 -0.239146D+01 -0.621657D+00  0.189841D+01 -0.194812D+01
      3   0.280049D-01 -0.621657D+00 -0.408533D+00  0.498751D+00 -0.565523D+00
               111           112           113           114           115 
      1   0.498751D+00  0.166808D+01 -0.286978D+01 -0.640924D+00  0.502552D+00
      2  -0.565523D+00 -0.286978D+01  0.976081D+01  0.203109D+01 -0.856917D+00
      3  -0.395344D+00 -0.640924D+00  0.203109D+01  0.129896D+01 -0.294317D+00
               116           117           118           119           120 
      1  -0.856917D+00 -0.294317D+00  0.190651D+01 -0.145147D+01 -0.151527D+01
      2   0.213574D+01  0.573313D+00 -0.145147D+01  0.107199D+01  0.472611D+00
      3   0.573313D+00  0.402107D+00 -0.151527D+01  0.472611D+00  0.145363D+01
               121           122           123           124           125 
      1  -0.300947D+01  0.234011D+01  0.100561D+01 -0.240935D+01  0.127709D+01
      2   0.234011D+01 -0.325802D+01 -0.237503D+01  0.127709D+01 -0.248322D+01
      3   0.100561D+01 -0.237503D+01 -0.298261D+01  0.268093D+01 -0.307477D+01
               126           127           128           129           130 
      1   0.268093D+01 -0.875721D+01  0.185208D+01  0.830905D+00 -0.139526D+01
      2  -0.307477D+01  0.185208D+01  0.288854D+01 -0.129485D+01  0.317245D+01
      3  -0.557196D+01  0.830905D+00 -0.129485D+01  0.228071D+01 -0.143236D+01
               131           132           133           134           135 
      1   0.317245D+01 -0.143236D+01  0.538370D+01 -0.246754D+01  0.320076D+01
      2   0.367640D+01 -0.150979D+01 -0.246754D+01 -0.182887D+00 -0.377565D+01
      3  -0.150979D+01 -0.337384D+01  0.320076D+01 -0.377565D+01 -0.161786D+01
               136           137           138           139           140 
      1   0.118665D+01  0.622230D+00 -0.108561D+01  0.566103D+00  0.380239D+00
      2   0.622230D+00 -0.162710D+00 -0.228937D+00  0.380239D+00  0.866072D+00
      3  -0.108561D+01 -0.228937D+00  0.226879D+00 -0.538753D+00 -0.134765D+01
               141           142           143           144           145 
      1  -0.538753D+00 -0.146019D+01 -0.642412D+00  0.230954D+01  0.112431D+02
      2  -0.134765D+01 -0.642412D+00 -0.186349D+01  0.256838D+01  0.211286D+01
      3   0.170482D+01  0.230954D+01  0.256838D+01 -0.899649D+01  0.992431D+00
               146           147           148           149           150 
      1   0.211286D+01  0.992431D+00  0.140731D+01  0.145507D+01  0.438190D-01
      2   0.136609D+01 -0.126991D-01  0.145507D+01  0.528301D+00  0.331882D+00
      3  -0.126991D-01  0.109769D+01  0.438190D-01  0.331882D+00  0.315534D+00
               151           152           153           154           155 
      1   0.319226D+01  0.556205D+00  0.160074D+01 -0.123950D+00  0.101725D+01
      2   0.556205D+00  0.686460D+00  0.537987D+00  0.101725D+01 -0.813182D+00
      3   0.160074D+01  0.537987D+00  0.718458D-01 -0.418793D+00  0.220721D+00
               156           157           158           159           160 
      1  -0.418793D+00  0.184866D+01  0.183168D+01 -0.189783D+00 -0.516196D+00
      2   0.220721D+00  0.183168D+01  0.109992D+02 -0.200832D+01 -0.158116D+00
      3   0.109458D+00 -0.189783D+00 -0.200832D+01  0.129625D+01  0.748589D+00
               161           162           163           164           165 
      1  -0.158116D+00  0.748589D+00  0.224579D+01  0.105313D+01  0.163452D+01
      2  -0.342180D+01  0.227158D+01  0.105313D+01  0.852568D+00  0.885253D+00
      3   0.227158D+01 -0.714319D+00  0.163452D+01  0.885253D+00  0.154900D+01
               166           167           168           169           170 
      1   0.653549D+00  0.165695D+01  0.763374D+00  0.389670D+01  0.246308D+01
      2   0.165695D+01  0.283120D+01  0.160764D+01  0.246308D+01  0.312188D+01
      3   0.763374D+00  0.160764D+01  0.122791D+01  0.294567D+01  0.349166D+01
               171           172           173           174           175 
      1   0.294567D+01  0.518148D+00  0.293697D+00  0.662736D+00  0.109748D+01
      2   0.349166D+01  0.293697D+00 -0.644265D+00  0.118154D+00 -0.502479D+00
      3   0.703282D+01  0.662736D+00  0.118154D+00 -0.957175D+00  0.487687D+00
               176           177           178           179           180 
      1  -0.502479D+00  0.487687D+00  0.101477D+01  0.151896D-01  0.368820D+00
      2   0.114969D+01  0.119902D+01  0.151896D-01  0.152401D+01  0.122432D+01
      3   0.119902D+01  0.273012D+01  0.368820D+00  0.122432D+01  0.615116D+01
               181           182           183           184           185 
      1   0.132762D+02 -0.317645D+01  0.862391D+00 -0.128884D+01  0.142802D+01
      2  -0.317645D+01  0.170828D+01 -0.370811D+00  0.142802D+01 -0.127671D+01
      3   0.862391D+00 -0.370811D+00  0.124428D+01  0.867738D-01  0.224572D+00
               186           187           188           189           190 
      1   0.867738D-01 -0.136740D+01  0.477796D+00  0.998753D+00 -0.230482D+00
      2   0.224572D+00  0.477796D+00 -0.370936D+00  0.440506D-01 -0.113202D+01
      3   0.209709D+00  0.998753D+00  0.440506D-01  0.105619D-01  0.350805D-01
               191           192           193           194           195 
      1  -0.113202D+01  0.350805D-01 -0.145637D+01 -0.321210D+00  0.118606D-02
      2  -0.210659D+01  0.769382D+00 -0.321210D+00 -0.795038D+01  0.200695D+01
      3   0.769382D+00 -0.947049D+00  0.118606D-02  0.200695D+01 -0.130100D+01
               196           197           198 
      1  -0.334801D+00  0.258167D+00 -0.325846D+00
      2   0.258167D+00  0.119925D+01 -0.102875D+01
      3  -0.325846D+00 -0.102875D+01  0.100444D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.189328D+01  0.962895D+00 -0.441969D+01  0.265703D+01 -0.678447D+00
      2   0.219950D+01  0.143136D+01  0.484955D+01 -0.216122D+01 -0.274440D+01
      3  -0.571260D+01 -0.101842D+02 -0.752606D+00  0.841838D+01 -0.397198D+01
                 6             7             8             9            10 
      1  -0.891987D+00 -0.764169D+01  0.484882D+01  0.214527D+01  0.607149D+00
      2   0.721184D+01 -0.290825D+00  0.101560D+02  0.360095D+01 -0.702115D+00
      3   0.130934D+01  0.273040D+01  0.300970D+01 -0.446001D+01  0.440978D+01
                11            12            13            14            15 
      1   0.326565D+00  0.214399D+01 -0.176693D+00 -0.258435D+01  0.239637D+01
      2  -0.317656D+00  0.887735D+01 -0.391554D+01  0.697654D+00 -0.278780D+01
      3  -0.923677D+01 -0.237729D+00  0.101612D+02  0.412221D+01 -0.200175D+01
                16            17            18            19            20 
      1   0.444749D+01  0.104381D+02  0.220336D+01  0.110065D+01 -0.145390D+01
      2   0.689351D+01 -0.474943D+01 -0.451225D+01 -0.481665D+01  0.322075D+01
      3   0.351124D+01 -0.120443D+01  0.177224D+01  0.843610D+01 -0.644804D+01
                21            22            23            24            25 
      1   0.305098D+01 -0.640609D+00  0.945438D+00 -0.393595D+01  0.328763D+01
      2  -0.179692D+01  0.122801D+01  0.535591D+00  0.259773D+01 -0.133647D+02
      3  -0.401898D+01  0.668194D+01 -0.684661D+01  0.452002D+00 -0.373232D+01
                26            27            28            29            30 
      1   0.497565D+00 -0.135008D+01  0.196169D+00 -0.215211D-01  0.211181D+01
      2   0.302442D+01  0.365557D+01  0.241402D+01 -0.332739D+01 -0.194091D+01
      3   0.133754D+01 -0.537355D+01 -0.544088D+01  0.114837D+02  0.181944D+01
                31            32            33            34            35 
      1   0.198403D+00 -0.325393D+01 -0.928396D+00  0.352448D+01  0.956025D+01
      2  -0.145519D+01  0.534759D+00  0.234006D+00 -0.141987D+02 -0.705779D+00
      3   0.107437D+02 -0.872036D+01  0.148863D+01 -0.590786D+00 -0.138920D+01
                36            37            38            39            40 
      1   0.876125D+00 -0.185857D+01 -0.158811D+00 -0.193724D+01  0.627093D+00
      2   0.877144D+00 -0.505916D+00  0.260441D+00 -0.193134D+01  0.379857D+01
      3  -0.198203D+01 -0.201616D+01  0.891728D+01  0.216681D+01  0.121668D+02
                41            42            43            44            45 
      1  -0.457967D+00 -0.446908D+00 -0.354978D+01  0.714447D+01  0.132905D+01
      2  -0.261783D+01 -0.150446D+01 -0.137381D+02 -0.924323D+00  0.100329D+00
      3   0.167646D+02  0.127802D+01 -0.944858D+00  0.264889D+01  0.426773D+01
                46            47            48            49            50 
      1   0.682663D+00 -0.119473D+01 -0.949187D+00 -0.469609D+00  0.101485D-01
      2   0.517958D+00  0.192706D+01 -0.107436D+01  0.178782D+01  0.247083D+01
      3  -0.462684D+01 -0.146182D+02 -0.198073D+01  0.138489D+01  0.361916D+01
                51            52            53            54            55 
      1  -0.397278D+01  0.237761D+01  0.121333D+01 -0.966181D+00 -0.191723D+01
      2  -0.591405D+01 -0.103184D+02 -0.813774D+01 -0.351793D+01 -0.349827D+00
      3  -0.167288D+01 -0.167665D+01 -0.176078D+01  0.527711D+01 -0.854456D+00
                56            57            58            59            60 
      1   0.833513D+00 -0.287920D+01  0.402857D+00  0.477228D+01  0.782760D-01
      2   0.268012D+01 -0.103596D+01  0.372757D+01  0.902000D+00  0.669679D+01
      3  -0.299914D+01  0.913834D+00  0.107242D+02  0.124617D+02 -0.549516D+01
                61            62            63            64            65 
      1  -0.598704D+01  0.760436D+01  0.369306D+00  0.449922D+01 -0.229909D+01
      2  -0.146773D+02  0.983695D+01  0.137188D+01 -0.128842D+02 -0.730706D+00
      3   0.226366D+01 -0.555119D+01 -0.502371D+01  0.355012D+00 -0.119232D+02
                66            67            68            69            70 
      1  -0.647422D+00 -0.108213D+01 -0.232614D+01  0.129885D+01  0.963954D+00
      2   0.150389D+01  0.432331D+00 -0.814289D+00 -0.422629D+01 -0.905757D+01
      3  -0.388235D+01 -0.727926D+01 -0.791627D+01  0.545003D+01 -0.675620D+01
                71            72            73            74            75 
      1   0.557800D+01 -0.468472D+01  0.114979D+01  0.502306D+01  0.394873D+01
      2  -0.716813D+01  0.138144D+02  0.669498D+00 -0.172501D+01  0.154362D+00
      3   0.343742D+01  0.550036D+01 -0.481290D+01 -0.293488D+01  0.179048D+01
                76            77            78            79            80 
      1   0.234721D+01 -0.870169D+01  0.605274D+00  0.101700D+02  0.131696D+02
      2  -0.200224D+01  0.278816D+01  0.124496D+00 -0.815550D+01 -0.264003D+01
      3   0.119608D+02  0.424302D+00 -0.778224D+01  0.496298D+00 -0.127187D+02
                81            82            83            84            85 
      1   0.104024D+02  0.208497D+00  0.466137D+00 -0.238258D+01 -0.413560D+00
      2  -0.375561D+01 -0.439437D+00 -0.344540D+00  0.366636D+01  0.908717D+00
      3  -0.544025D+01 -0.188781D+01 -0.555941D+01  0.343370D-01 -0.405718D+01
                86            87            88            89            90 
      1  -0.494757D-01 -0.264866D+01  0.118365D+01  0.142932D+01 -0.137261D+00
      2   0.874888D+00  0.315238D+01 -0.154937D+01 -0.899510D+00  0.140198D+00
      3  -0.903638D+01 -0.731046D+00 -0.102742D+01 -0.151347D+01  0.594414D-01
                91            92            93            94            95 
      1  -0.145367D+00 -0.572354D+00  0.120666D+01  0.859234D-02  0.178698D+00
      2  -0.176656D+01  0.331527D+00  0.596312D+01  0.179355D+01 -0.777079D+00
      3   0.191180D+01 -0.545078D+01 -0.273175D+00 -0.400366D+01  0.292242D+01
                96            97            98            99           100 
      1  -0.712004D+00 -0.862664D+00  0.692710D+00 -0.101370D+00  0.142995D+00
      2  -0.181079D+01 -0.236409D+01  0.444058D+00 -0.573076D+00  0.739749D+00
      3   0.725595D+00 -0.201829D+01  0.150736D+01  0.152888D+00 -0.388502D+01
               101           102           103           104           105 
      1   0.291110D+00  0.108914D+01 -0.269870D+00  0.868242D+00 -0.463211D+01
      2  -0.976184D+00 -0.876987D-01 -0.122952D+01  0.244249D+01  0.681596D+00
      3   0.406034D+01  0.119321D+01  0.633212D+01 -0.126427D+02 -0.291896D+01
               106           107           108           109           110 
      1  -0.320473D+00  0.232492D+01 -0.732890D+00 -0.254242D+00  0.401350D+00
      2  -0.145174D+01  0.750772D+00  0.961829D-01 -0.443293D+00  0.572190D+00
      3   0.164578D+01 -0.357736D+01 -0.530051D+00  0.920942D+00 -0.117119D+01
               111           112           113           114           115 
      1   0.119290D+01  0.775711D-01  0.693487D+00 -0.460444D+01 -0.285397D+00
      2   0.106070D+01  0.168261D+00 -0.320471D+01 -0.282489D+01 -0.912313D+00
      3  -0.399209D+00  0.692269D+00  0.147768D+02  0.298743D+01 -0.181999D+00
               116           117           118           119           120 
      1   0.208946D+01 -0.670025D+00 -0.816283D+00 -0.538428D+00  0.145447D+01
      2  -0.171632D+00 -0.476847D+00 -0.114869D+01  0.379700D+00  0.284327D+01
      3   0.307061D+01  0.329169D+00  0.153275D+01 -0.322640D+01  0.241206D+00
               121           122           123           124           125 
      1   0.183596D+00  0.613844D+00 -0.272105D+01  0.202625D+01  0.960378D+00
      2  -0.259479D+00 -0.285337D+01 -0.525762D+01  0.126565D+01 -0.434082D+01
      3   0.630110D+00  0.383955D+01  0.412348D+01  0.892717D+00  0.494729D+01
               126           127           128           129           130 
      1  -0.384693D+01  0.334138D+01  0.195399D+01  0.314234D+01 -0.171232D+01
      2  -0.845636D+01  0.122777D+02 -0.690911D+01  0.853811D+01 -0.632694D+01
      3   0.420419D+01  0.967514D+01 -0.144244D+02  0.170591D+01 -0.536321D+01
               131           132           133           134           135 
      1   0.421361D+01 -0.117940D+02  0.281070D+01 -0.644593D+01 -0.686280D+01
      2  -0.599559D+01 -0.776934D+01  0.542613D+01 -0.819724D+01 -0.643678D+01
      3  -0.181560D+02  0.748467D+01 -0.875277D-01  0.744429D+01  0.516086D+01
               136           137           138           139           140 
      1   0.125795D+00  0.701515D+00 -0.275664D-01  0.721783D+00  0.166128D-01
      2  -0.808623D+00 -0.945690D-01  0.783971D+00 -0.378808D+00 -0.279631D+01
      3  -0.774207D+00  0.833050D+00 -0.326771D+00  0.271475D+01 -0.131273D+01
               141           142           143           144           145 
      1  -0.132974D+01 -0.147905D+01  0.210624D+01  0.692542D+01 -0.249678D+01
      2   0.358378D+01  0.103063D+01  0.486895D+01 -0.191083D+02  0.952934D+01
      3   0.268393D+01 -0.775663D+00  0.492599D+01 -0.289485D+01  0.706769D+01
               146           147           148           149           150 
      1  -0.805165D+00 -0.156008D+01 -0.844688D+00 -0.532316D+00 -0.138632D+01
      2   0.136319D+01  0.638828D+01  0.109885D+01  0.173317D+01  0.111429D+01
      3  -0.533277D+01  0.113508D+01 -0.957959D+00  0.365163D+00 -0.141568D+01
               151           152           153           154           155 
      1  -0.178070D+01 -0.486713D-01 -0.834100D+00  0.642108D+00 -0.914906D+00
      2   0.465367D+01  0.152305D+01  0.187688D+01  0.114328D+00  0.577697D+00
      3   0.238913D+01 -0.271819D+01  0.291927D+00 -0.166413D+01  0.719060D+00
               156           157           158           159           160 
      1  -0.572042D-01  0.173140D+01  0.618056D+01 -0.586147D+01 -0.193542D+01
      2   0.116122D+01 -0.316933D+00 -0.229985D+01  0.131475D+01  0.117950D+00
      3  -0.160482D+01  0.479665D+01 -0.962293D+01  0.239840D+01 -0.236122D+01
               161           162           163           164           165 
      1  -0.454583D+01  0.248328D+01 -0.338226D+01 -0.104843D+01 -0.368270D+01
      2   0.167944D+01 -0.922654D+00 -0.529404D+00  0.709244D+00  0.253471D+01
      3   0.487948D+01 -0.111605D+01  0.577222D+01 -0.255264D+00  0.242474D+01
               166           167           168           169           170 
      1  -0.122914D+01 -0.225855D+01 -0.307419D+01 -0.670485D+01 -0.488904D+01
      2   0.674384D+00  0.114071D+01  0.148710D+01  0.687654D+00  0.301143D+01
      3  -0.491421D+00 -0.207965D+00 -0.874120D-01  0.647154D+01  0.154399D+01
               171           172           173           174           175 
      1  -0.160046D+02  0.160719D+01 -0.155533D+01 -0.134602D+01 -0.775567D+00
      2   0.693180D+01  0.184738D+01 -0.316092D+00 -0.234984D+01 -0.110905D+01
      3   0.216326D+01 -0.123080D+01  0.976466D+00 -0.874542D+00  0.128627D+01
               176           177           178           179           180 
      1   0.556733D+01  0.476168D+01 -0.244260D+00  0.696206D+01  0.107912D+02
      2   0.387192D+01  0.652407D+01 -0.325156D+01  0.384156D+01  0.144694D+02
      3  -0.300717D+01 -0.365996D+01 -0.719659D+00 -0.428259D+01 -0.380285D+01
               181           182           183           184           185 
      1  -0.941487D-01  0.105480D+01  0.240664D+01  0.100861D+01 -0.615629D+00
      2  -0.840469D+01  0.108618D+01  0.612092D+01  0.137765D+01 -0.105978D+00
      3  -0.137357D+02 -0.322627D+01 -0.112762D+00 -0.115598D+00  0.186035D+01
               186           187           188           189           190 
      1  -0.171227D+00  0.134782D+01  0.107838D+01  0.201910D+00 -0.144543D+01
      2   0.149876D+00  0.139820D+01  0.345320D+00 -0.529043D+00  0.131176D+01
      3  -0.624176D+00  0.402324D+00 -0.273039D+00 -0.194672D+01  0.577044D+01
               191           192           193           194           195 
      1  -0.145226D+01 -0.185874D+01 -0.117174D+01 -0.519556D+01 -0.269053D+01
      2   0.279560D+01 -0.156744D+01  0.215920D+01  0.621723D+01 -0.277746D+01
      3   0.727819D+01 -0.155481D+01  0.707488D+01  0.210770D+02 -0.518036D+01
               196           197           198 
      1  -0.558576D+00  0.954296D+00  0.105705D+01
      2  -0.164388D+01 -0.233948D+01  0.254226D+01
      3   0.695140D-01 -0.376365D+01  0.339090D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.459596D+01 -0.231372D+02 -0.342334D+01  0.278794D+02  0.137676D+01
      2  -0.495531D+00  0.156671D+02 -0.191415D+01 -0.291885D+02 -0.553350D+01
      3   0.509149D+01  0.747007D+01  0.533749D+01  0.130907D+01  0.415675D+01
      4  -0.210130D+02  0.114218D+02  0.520061D+01  0.198163D+01 -0.169680D+02
      5   0.159825D+01  0.337071D+01  0.114201D+02 -0.588996D+01 -0.893402D+01
      6   0.314984D+01  0.245403D+01  0.985693D+01 -0.880286D+01 -0.496852D+01
                 6             7             8             9            10 
      1   0.246619D+00  0.114785D+02  0.410289D+01  0.609584D+01 -0.127224D+02
      2   0.202727D+01 -0.124879D+02 -0.642239D+01 -0.108244D+02  0.706349D+01
      3  -0.227389D+01  0.100941D+01  0.231950D+01  0.472861D+01  0.565893D+01
      4  -0.110271D+02 -0.126053D+01 -0.100590D+02  0.121197D+02  0.664568D+01
      5   0.145350D+02  0.261677D+02  0.149189D+02  0.741447D+01  0.773416D+01
      6   0.304824D+01  0.773943D+01  0.117097D+02 -0.273022D+01 -0.410224D-02
                11            12            13            14            15 
      1   0.638374D+01  0.806737D+01 -0.218914D+02 -0.194456D+02 -0.705296D+01
      2  -0.317470D+01 -0.234497D+01  0.201864D+02  0.194736D+02  0.901711D+01
      3  -0.320904D+01 -0.572240D+01  0.170501D+01 -0.280308D-01 -0.196415D+01
      4   0.236549D+02 -0.765580D+00 -0.214406D+02  0.143978D+02  0.869863D+01
      5  -0.115859D+01  0.186109D+02 -0.123207D+02  0.584142D+01 -0.582372D+01
      6   0.376092D+00 -0.437754D+01  0.739892D+01  0.465508D+01 -0.427646D+01
                16            17            18            19            20 
      1   0.443830D+01 -0.899537D+01  0.115186D+02  0.126242D+02  0.717394D+01
      2   0.221573D+01  0.641889D+01 -0.171646D+02 -0.981066D+01 -0.806091D+01
      3  -0.665403D+01  0.257648D+01  0.564601D+01 -0.281357D+01  0.886968D+00
      4  -0.138331D+02  0.403639D+01 -0.320940D+01  0.103162D+02 -0.225621D+02
      5   0.336495D+02 -0.560485D+01 -0.910953D+01 -0.148625D+01 -0.205872D+01
      6  -0.160055D+01  0.691092D+01 -0.346069D+01 -0.217333D+01  0.216435D+01
                21            22            23            24            25 
      1  -0.185443D+01  0.637041D+01  0.108190D+02  0.544085D+01 -0.174524D+01
      2   0.197153D+01  0.890908D-01 -0.166948D+02 -0.901917D+01  0.178907D+01
      3  -0.117097D+00 -0.645950D+01  0.587581D+01  0.357832D+01 -0.438355D-01
      4  -0.417027D+01  0.171217D+02  0.100894D+02  0.714238D-01  0.106034D+01
      5  -0.588618D+01  0.891480D+00  0.561955D+00  0.376861D+01  0.236315D+01
      6  -0.627145D+01  0.290975D+01 -0.128636D+02  0.580641D+01  0.957487D-02
                26            27            28            29            30 
      1   0.417733D+01 -0.143157D+02 -0.227385D+02  0.834187D+01  0.287082D+01
      2  -0.105618D+02 -0.374567D+00  0.138976D+02 -0.458475D+01  0.248008D+00
      3   0.638447D+01  0.146902D+02  0.884083D+01 -0.375712D+01 -0.311882D+01
      4   0.318218D+01  0.949068D+01 -0.107435D+02  0.956909D+01  0.824742D+00
      5   0.819641D+01  0.794111D+01  0.407317D+01 -0.101403D+01 -0.202125D+01
      6   0.136841D+02  0.530222D+01 -0.231426D+01 -0.382665D+00 -0.266417D+01
                31            32            33            34            35 
      1  -0.368699D+01 -0.457477D+01 -0.514177D+00  0.693271D+01 -0.168033D+01
      2   0.836622D+01  0.105369D+02  0.222889D+01  0.120968D+00  0.239057D+00
      3  -0.467922D+01 -0.596216D+01 -0.171472D+01 -0.705367D+01  0.144127D+01
      4  -0.585053D+01  0.105900D+02  0.154746D+01 -0.421572D+01  0.139793D+01
      5  -0.277413D+01  0.140314D-01 -0.220908D+00  0.399845D+01 -0.994949D+00
      6   0.576903D+01  0.273847D+01  0.153236D+01 -0.150913D+01  0.665120D+01
                36            37            38            39            40 
      1  -0.952334D+01 -0.167313D+02 -0.249823D+02 -0.484324D+01 -0.603866D+01
      2  -0.290430D+01  0.123312D+02  0.179649D+02  0.276953D+01 -0.298604D+01
      3   0.124276D+02  0.440006D+01  0.701736D+01  0.207371D+01  0.902471D+01
      4  -0.321482D+01 -0.651782D+01 -0.295444D+01  0.253797D+01  0.475286D+01
      5   0.616087D+00 -0.109029D+01  0.268561D+01 -0.159716D+01  0.427991D+01
      6  -0.222099D+00  0.637185D+01  0.379976D+01  0.340203D+01 -0.635665D+01
                41            42            43            44            45 
      1  -0.752616D+01  0.350505D+01  0.494023D+00  0.687790D+01 -0.105528D+02
      2   0.820555D+01  0.878131D-01 -0.205719D+01 -0.571511D+01  0.945994D+00
      3  -0.679385D+00 -0.359287D+01  0.156317D+01 -0.116278D+01  0.960677D+01
      4  -0.864158D+01 -0.249709D+01  0.159549D+01 -0.704299D+00 -0.194031D+01
      5  -0.210085D+01 -0.227351D+01  0.444111D+01 -0.284745D+01  0.737262D+00
      6  -0.613557D+00  0.243137D+01  0.876714D+00  0.903576D+01 -0.156338D+01
                46            47            48            49            50 
      1   0.177497D+02  0.160842D+02 -0.162318D+01 -0.173110D+02  0.137236D+02
      2  -0.150580D+02 -0.114040D+02 -0.106137D+01  0.150914D+02 -0.204410D+02
      3  -0.269164D+01 -0.468021D+01  0.268456D+01  0.221961D+01  0.671738D+01
      4   0.724270D+01 -0.175798D+02 -0.605966D+01  0.124172D+02 -0.261320D+01
      5   0.325837D+01 -0.496611D+01 -0.484354D+01  0.805931D+00  0.490796D+01
      6  -0.690303D+01  0.186225D+01  0.713220D+00  0.370786D+01 -0.120877D+02
                51            52            53            54            55 
      1   0.366963D+01 -0.623162D+01 -0.127450D+01 -0.725215D+01  0.203011D+02
      2  -0.780231D+01  0.797924D+01 -0.695669D+01 -0.486570D+01 -0.101247D+02
      3   0.413268D+01 -0.174763D+01  0.823119D+01  0.121178D+02 -0.101764D+02
      4   0.493434D+01 -0.290686D+01  0.103073D+02 -0.128627D+02  0.925408D+01
      5  -0.108702D+02  0.838085D+01 -0.124142D+02 -0.729291D+01 -0.194506D+01
      6   0.654203D+01 -0.430118D+01  0.125679D+02  0.283128D+01  0.287537D+01
                56            57            58            59            60 
      1  -0.540941D+01  0.285936D+01 -0.476146D+01 -0.579095D+01  0.434173D+01
      2   0.298953D+01 -0.170255D+01  0.880949D-01  0.503021D+01 -0.404717D+01
      3   0.241988D+01 -0.115682D+01  0.467336D+01  0.760746D+00 -0.294562D+00
      4  -0.125335D+02  0.291133D+01 -0.235971D+02 -0.644713D+01  0.670530D+01
      5   0.324327D+01 -0.111252D+02  0.483380D+01  0.822834D+01  0.160037D+02
      6  -0.126286D+01  0.811899D+01  0.305258D+01 -0.456265D+01 -0.136984D+02
                61            62            63            64            65 
      1  -0.568579D+01  0.634792D+01  0.211459D+01 -0.361560D+02 -0.129553D+02
      2  -0.412683D+00  0.590631D+00 -0.160738D+01  0.115320D+02  0.945523D+01
      3   0.609848D+01 -0.693855D+01 -0.507209D+00  0.246241D+02  0.350009D+01
      4   0.105378D+02 -0.581457D-01  0.241947D+02 -0.167815D+02  0.125288D+01
      5  -0.234588D+02  0.217458D+02  0.595695D+01 -0.112242D+02  0.136423D+00
      6   0.182357D+02 -0.163484D+02 -0.948069D+01 -0.417960D+01  0.608407D+00
                66            67            68            69            70 
      1  -0.121147D+02 -0.107522D+02  0.672795D+01  0.159422D+00 -0.224967D+02
      2   0.751537D+01  0.981519D+01  0.731480D+00 -0.682262D+01  0.941018D+01
      3   0.459929D+01  0.937011D+00 -0.745943D+01  0.666320D+01  0.130865D+02
      4  -0.327453D+01  0.450113D+01  0.149274D+02 -0.436925D+01 -0.702474D+01
      5   0.293280D+01  0.259698D+01 -0.718487D+01 -0.685788D+01 -0.120567D+01
      6   0.267362D+00 -0.192613D+01 -0.256875D+01 -0.367455D+01 -0.337295D+01
                71            72            73            74            75 
      1  -0.222948D+01  0.725263D+01  0.266240D+01  0.102809D+02  0.876893D+01
      2  -0.925370D+01  0.123560D+02  0.486697D+01 -0.362550D+01 -0.753292D+01
      3   0.114832D+02 -0.196086D+02 -0.752937D+01 -0.665542D+01 -0.123602D+01
      4   0.126254D+01 -0.117324D+02  0.386726D+01  0.148556D+01 -0.279578D+01
      5  -0.107670D+02  0.256855D+02  0.769077D+00 -0.475454D+01 -0.703141D+01
      6  -0.155593D+01  0.180906D+02 -0.317793D+01 -0.863138D+01 -0.771393D+01
                76            77            78            79            80 
      1   0.198028D+02  0.268737D+02 -0.817933D+01  0.142958D+02 -0.766789D+01
      2  -0.172763D+02 -0.402201D+02  0.144923D+02 -0.653068D+01  0.208962D+02
      3  -0.252652D+01  0.133464D+02 -0.631296D+01 -0.776511D+01 -0.132283D+02
      4  -0.222282D+01 -0.107645D+02  0.157188D+01 -0.557119D+01 -0.142335D+01
      5  -0.695524D+01  0.271869D+01 -0.216839D+01 -0.116737D+02 -0.912122D+01
      6  -0.351714D+01  0.131042D+02 -0.642201D+01 -0.162442D+02 -0.183009D+02
                81            82            83            84            85 
      1   0.122570D+02  0.389706D+02  0.205352D+02  0.215879D+01  0.166336D+02
      2  -0.721894D+01 -0.127900D+02 -0.331185D+01 -0.931037D+00  0.160748D+01
      3  -0.503808D+01 -0.261807D+02 -0.172234D+02 -0.122776D+01 -0.182411D+02
      4  -0.107093D+02  0.424524D+02  0.324225D+02  0.241094D+01  0.372484D+02
      5  -0.155844D+02  0.484740D+01  0.268862D+01  0.668107D+01  0.536088D+01
      6  -0.202740D+02  0.640206D+00  0.494197D+00  0.316750D+01  0.232133D+01
                86            87            88            89            90 
      1   0.110668D+02  0.152509D+01 -0.500658D-01  0.279421D+00  0.760080D+00
      2   0.770559D+01 -0.514238D+00  0.133866D+01  0.131127D+01  0.477472D+00
      3  -0.187724D+02 -0.101085D+01 -0.128859D+01 -0.159069D+01 -0.123755D+01
      4   0.385155D+02  0.408152D+01  0.396914D+01  0.427831D+01  0.286805D+01
      5   0.489485D+01  0.501680D+01  0.212397D+01  0.147942D+01  0.604845D+00
      6   0.231000D+01  0.442881D+01  0.141791D+01  0.163575D+01  0.109659D+01
                91            92            93            94            95 
      1   0.920788D+02 -0.164169D+02 -0.976489D+01 -0.151575D+02  0.110133D+02
      2  -0.518045D+02  0.822790D+01  0.668610D+01  0.679689D+01 -0.452973D+01
      3  -0.402743D+02  0.818903D+01  0.307879D+01  0.836056D+01 -0.648353D+01
      4  -0.261096D+02  0.129719D+02  0.287351D+01  0.194178D+02 -0.923921D+01
      5  -0.149387D+02  0.273782D+01  0.107714D+02  0.566544D+01 -0.293522D+01
      6   0.685069D-01 -0.690325D+00 -0.135122D+01 -0.166792D+01  0.743731D+00
                96            97            98            99           100 
      1   0.303024D+01 -0.115648D+02  0.367360D+01  0.379109D+01 -0.398289D+01
      2  -0.218058D+01  0.643982D+01 -0.197511D+01 -0.219118D+01  0.568735D+01
      3  -0.849655D+00  0.512498D+01 -0.169849D+01 -0.159992D+01 -0.170446D+01
      4  -0.276720D+01  0.628032D+01 -0.308429D+01 -0.212235D+01 -0.192321D+00
      5  -0.294799D+01  0.406399D+01 -0.101235D+01 -0.243084D+01 -0.441852D-01
      6   0.204177D+01 -0.722445D+00  0.846448D+00  0.789044D+00  0.219437D+01
               101           102           103           104           105 
      1   0.756485D+01  0.258998D+01  0.405063D+01 -0.388596D+02 -0.914809D+01
      2  -0.777690D+01 -0.173823D+01 -0.413430D+01  0.530916D+02  0.919576D+01
      3   0.212056D+00 -0.851751D+00  0.836625D-01 -0.142319D+02 -0.476670D-01
      4   0.716310D+01  0.113643D+01  0.555315D+01  0.111757D+02  0.294364D+01
      5   0.876127D+00  0.130563D+01  0.975722D+00  0.379226D+01  0.180590D+01
      6  -0.336944D+01 -0.192720D+01 -0.944251D+00  0.162124D+02  0.101742D+02
               106           107           108           109           110 
      1   0.123462D+01 -0.916845D+01 -0.408416D+01  0.201212D+01 -0.249023D+01
      2  -0.121274D+01  0.110381D+02  0.447106D+01  0.334450D+01 -0.347628D+01
      3  -0.218786D-01 -0.186964D+01 -0.386905D+00 -0.535661D+01  0.596651D+01
      4   0.130971D+01  0.196855D+01 -0.743719D+00 -0.122934D+02  0.166883D+02
      5   0.666651D+00  0.332611D+00 -0.124983D+00 -0.289301D+01  0.376827D+01
      6  -0.358610D+00  0.639412D+01  0.410737D+01  0.258652D+01 -0.316916D+01
               111           112           113           114           115 
      1  -0.301837D+00  0.234530D+01 -0.236503D+02 -0.510589D+01  0.181824D+00
      2  -0.382818D+00 -0.955241D+01  0.425582D+02  0.615917D+01 -0.173863D+01
      3   0.684655D+00  0.720711D+01 -0.189079D+02 -0.105328D+01  0.155681D+01
      4   0.400548D+01  0.185828D+02 -0.418163D+02 -0.856791D+01  0.506597D+01
      5   0.339899D+01  0.373344D+01 -0.770194D+01 -0.528103D+01  0.175539D+01
      6  -0.214596D+01 -0.413529D+01  0.134729D+02  0.944217D+01 -0.194638D+01
               116           117           118           119           120 
      1  -0.407605D+01 -0.290043D+01  0.421245D+01 -0.197071D+01 -0.333080D+01
      2   0.713262D+01  0.375970D+01 -0.368102D+01  0.113975D+01  0.282367D+01
      3  -0.305656D+01 -0.859267D+00 -0.531431D+00  0.830963D+00  0.507129D+00
      4  -0.101829D+02 -0.306453D+01 -0.817965D+01  0.953353D+01  0.482055D+01
      5  -0.261796D+01 -0.181817D+01 -0.858496D+01  0.424995D+01  0.116499D+02
      6   0.563686D+01  0.393225D+01  0.584342D+01 -0.277546D+01 -0.439448D+01
               121           122           123           124           125 
      1   0.767604D+00 -0.624402D+01 -0.578152D+01 -0.435709D+00 -0.583315D+01
      2  -0.953690D+00  0.606182D+01  0.323416D+01  0.370463D+01  0.328494D+00
      3   0.186086D+00  0.182194D+00  0.254735D+01 -0.326892D+01  0.550466D+01
      4   0.138872D+02 -0.145335D+02 -0.100218D+02  0.795711D+01 -0.105737D+02
      5   0.611257D+01 -0.100741D+02 -0.126771D+02  0.162516D+02 -0.129403D+02
      6  -0.597779D+01  0.132989D+02  0.152767D+02 -0.964772D+01  0.148212D+02
               126           127           128           129           130 
      1  -0.990971D+01 -0.563360D+02  0.231444D+02 -0.443081D+01  0.128174D+02
      2  -0.585189D+01  0.217880D+02 -0.196468D+02  0.579520D+00 -0.104940D+02
      3   0.157616D+02  0.345480D+02 -0.349760D+01  0.385129D+01 -0.232340D+01
      4  -0.133773D+02  0.294704D+02  0.636736D+01 -0.514749D+01  0.122700D+02
      5  -0.233052D+02 -0.593864D+01 -0.174207D+01  0.113267D+02 -0.523829D+01
      6   0.202501D+02 -0.242683D+01  0.820752D+01 -0.612526D+01  0.671257D+01
               131           132           133           134           135 
      1   0.242352D+02 -0.115293D+01  0.356905D+01 -0.270507D+01  0.851783D+01
      2  -0.260421D+02  0.160924D+02 -0.325150D+01  0.126223D+02  0.826293D+01
      3   0.180690D+01 -0.149394D+02 -0.317545D+00 -0.991723D+01 -0.167808D+02
      4   0.596093D+01 -0.472652D+01 -0.152996D+02  0.835050D+00 -0.231232D+02
      5  -0.640430D+00 -0.155096D+02  0.185282D+02 -0.192504D+02 -0.325773D+01
      6   0.953877D+01  0.517773D+01 -0.126490D+02  0.775386D+01 -0.449668D+01
               136           137           138           139           140 
      1   0.490734D+01  0.374945D+01 -0.438929D+01  0.159576D+01 -0.528624D+01
      2  -0.508411D+01 -0.252541D+01  0.268667D+01 -0.147846D+01  0.119970D+01
      3   0.176766D+00 -0.122404D+01  0.170262D+01 -0.117306D+00  0.408654D+01
      4   0.445522D+01  0.153864D+01 -0.325457D+01  0.447147D+01  0.383723D+01
      5  -0.565250D+01 -0.269879D+01  0.705985D+01 -0.358112D+01 -0.569352D+01
      6  -0.302903D+01 -0.521074D+00  0.101273D+00 -0.238105D+01 -0.655498D+01
               141           142           143           144           145 
      1   0.365167D+01 -0.302706D+01  0.467573D+01 -0.141891D+02  0.690587D+02
      2  -0.159849D+00  0.791005D+01  0.223511D+01 -0.204272D+02 -0.333563D+02
      3  -0.349182D+01 -0.488298D+01 -0.691083D+01  0.346162D+02 -0.357024D+02
      4  -0.662577D+01 -0.617421D+01 -0.942939D+01  0.125943D+02  0.270226D+02
      5   0.717627D+01  0.161019D+02  0.114353D+02 -0.390911D+02  0.205416D+01
      6   0.113531D+02  0.643166D+01  0.107844D+02 -0.231478D+02  0.951692D+00
               146           147           148           149           150 
      1   0.103727D+02  0.635863D+01  0.578803D+01  0.649654D+01  0.160050D+00
      2  -0.310198D+01 -0.227846D+01 -0.102520D+00 -0.709934D+00  0.127448D+01
      3  -0.727069D+01 -0.408017D+01 -0.568551D+01 -0.578660D+01 -0.143452D+01
      4   0.146361D+02  0.165748D+01  0.134843D+02  0.560928D+01  0.209324D+01
      5  -0.344409D+00  0.910371D+01 -0.795868D-01  0.172833D+01  0.160180D+01
      6  -0.247553D+00  0.241390D+01 -0.330869D+00  0.934390D+00  0.214264D+01
               151           152           153           154           155 
      1   0.160761D+02  0.222537D+01  0.626944D+01 -0.872586D+00  0.525696D+01
      2  -0.753243D+01  0.116587D+01 -0.547373D+01  0.397623D+01 -0.593883D+01
      3  -0.854362D+01 -0.339123D+01 -0.795711D+00 -0.310365D+01  0.681867D+00
      4   0.711716D+01  0.474079D+01  0.461030D+01  0.150496D+01  0.845287D+01
      5   0.108933D+02  0.308425D+01  0.235939D+01 -0.644970D+00 -0.705957D+00
      6   0.297740D+01  0.197231D+01 -0.282075D+00 -0.294696D+01  0.128932D+01
               156           157           158           159           160 
      1  -0.226061D+01 -0.407266D+01 -0.412402D+02  0.771617D+01 -0.126560D+01
      2   0.167826D+01  0.772183D+01  0.669260D+02 -0.120924D+02 -0.131000D+01
      3   0.582349D+00 -0.364917D+01 -0.256857D+02  0.437624D+01  0.257560D+01
      4  -0.189851D+01  0.987990D+01  0.187661D+02 -0.317097D+01 -0.361479D+01
      5   0.296865D+01 -0.127024D+01 -0.284707D+01  0.270554D+01  0.375227D+01
      6   0.132498D+00 -0.224041D+01 -0.161966D+02  0.104854D+02  0.444116D+01
               161           162           163           164           165 
      1   0.133689D+02 -0.905028D+01  0.201269D+01 -0.118621D+01 -0.360635D-01
      2  -0.202388D+02  0.960058D+01 -0.377271D+01  0.122173D+01  0.165721D+00
      3   0.686989D+01 -0.550296D+00  0.176002D+01 -0.355236D-01 -0.129658D+00
      4  -0.591710D+01  0.428727D+01  0.710531D+01  0.697407D+01  0.648577D+01
      5   0.430846D+01 -0.393929D+00  0.732022D+01  0.485043D+01  0.105116D+02
      6   0.160981D+02 -0.660548D+01  0.699440D+01  0.468345D+01  0.709632D+01
               166           167           168           169           170 
      1  -0.447531D+01 -0.112450D+02 -0.520693D+01 -0.439140D+01 -0.110275D+02
      2   0.573288D+01  0.129350D+02  0.434050D+01  0.185932D-01  0.624963D+01
      3  -0.125757D+01 -0.169003D+01  0.866424D+00  0.437281D+01  0.477787D+01
      4   0.534315D+01  0.772347D+01  0.546194D+01  0.117724D+02  0.104937D+02
      5   0.277354D+01  0.538257D+01  0.423098D+01  0.137308D+02  0.116980D+02
      6   0.463286D+01  0.806606D+01  0.100285D+02  0.136589D+02  0.202611D+02
               171           172           173           174           175 
      1  -0.179160D+02  0.385140D+01 -0.105917D+01  0.578638D+01  0.301866D+01
      2   0.983796D+00 -0.422889D+01  0.193998D+01 -0.373949D+00 -0.201199D+01
      3   0.169322D+02  0.377491D+00 -0.880808D+00 -0.541243D+01 -0.100667D+01
      4   0.115853D+02 -0.566004D+00 -0.161403D+01 -0.751144D+00 -0.195712D+01
      5   0.215090D+02  0.268667D+01  0.123472D+01  0.522867D+00  0.451861D+01
      6   0.311832D+02  0.266480D+00 -0.168356D+01  0.206255D+01 -0.855156D+00
               176           177           178           179           180 
      1  -0.522941D+01 -0.291724D+01  0.490638D+01 -0.165580D+01 -0.138087D+02
      2  -0.154331D+00 -0.919911D+01 -0.329998D+01 -0.717057D+01 -0.181879D+02
      3   0.538374D+01  0.121164D+02 -0.160641D+01  0.882637D+01  0.319966D+02
      4   0.658114D+01  0.576777D+01 -0.174265D+01  0.740889D+01  0.784069D+01
      5   0.411160D+01  0.116337D+02  0.657839D+01  0.491099D+01  0.237662D+02
      6   0.195774D+01  0.854245D+00 -0.368909D+00  0.366425D+01 -0.543366D+01
               181           182           183           184           185 
      1   0.803561D+02 -0.143590D+02  0.170490D+01 -0.545103D+01  0.454248D+01
      2  -0.366134D+02  0.314396D+01 -0.305745D+01 -0.100764D+01  0.183658D+01
      3  -0.437427D+02  0.112150D+02  0.135254D+01  0.645867D+01 -0.637907D+01
      4  -0.436759D+02  0.198880D+02 -0.276798D+01  0.149977D+02 -0.991517D+01
      5   0.186464D+02 -0.469553D+01  0.116129D+02 -0.105483D+01  0.176649D+01
      6  -0.316460D+01  0.280137D+01 -0.478924D+01  0.125962D+01 -0.200819D+01
               186           187           188           189           190 
      1   0.173641D+00 -0.575924D+01  0.880350D+00  0.574115D+01 -0.669210D+00
      2  -0.127608D+01  0.649683D+00 -0.217419D+00 -0.487307D+01  0.433599D+01
      3   0.110244D+01  0.510956D+01 -0.662931D+00 -0.868086D+00 -0.366678D+01
      4   0.981725D+00  0.415831D+01 -0.199698D+01 -0.198336D+01 -0.167977D+01
      5   0.673471D-01  0.934743D+01 -0.671710D+00  0.715065D+00 -0.906413D+00
      6   0.142446D+01 -0.337468D+01  0.131777D+01  0.534695D+00 -0.162298D+01
               191           192           193           194           195 
      1  -0.128096D+02  0.405968D+01 -0.852748D+01 -0.314065D+02  0.798268D+01
      2   0.138217D+02 -0.223233D+01  0.580249D+01  0.452800D+02 -0.812382D+01
      3  -0.101211D+01 -0.182735D+01  0.272500D+01 -0.138736D+02  0.141139D+00
      4  -0.134175D+01  0.120502D+01  0.615242D+01 -0.256514D+02  0.655352D+01
      5  -0.518856D+00 -0.205708D+01 -0.338422D+01  0.416353D+01 -0.391532D+01
      6  -0.600725D+01  0.442789D+01 -0.990225D+00 -0.194238D+02  0.111966D+02
               196           197           198 
      1   0.620166D+00  0.624800D+01 -0.769283D+01
      2  -0.168757D+00 -0.517282D+01  0.423049D+01
      3  -0.451409D+00 -0.107519D+01  0.346234D+01
      4   0.819616D+00  0.351749D+01 -0.150751D+01
      5   0.538139D+00 -0.228352D+01  0.274181D+01
      6   0.189140D+01  0.989459D+01 -0.523633D+01
 Leave Link  716 at Thu Jul  8 21:28:05 2021, MaxMem= 10737418240 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146995D+03  0.158416D+01 -0.236123D+01
      2   0.158416D+01  0.125435D+03  0.518434D+01
      3  -0.236123D+01  0.518434D+01  0.853153D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.268202D+01 -0.196174D+01  0.243557D+01
      2   0.974612D+01 -0.142132D+02  0.127294D+02
      3   0.137390D+01  0.328001D+02  0.116818D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.795268D+02 -0.123895D+02  0.853411D+01
      2   0.368573D+02  0.458930D+01 -0.571315D+01
      3   0.426695D+02  0.780018D+01 -0.282095D+01
      4  -0.216704D+02 -0.373855D+02 -0.301605D+02
      5   0.211490D+02 -0.306615D+02  0.354896D+02
      6  -0.130739D+02  0.650486D+01 -0.198798D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.112492D+01 -0.134885D+01 -0.702349D+00 -0.445439D+01  0.496587D+00
      2  -0.134885D+01 -0.234503D+01 -0.614552D+00  0.496587D+00 -0.219100D+01
      3  -0.702349D+00 -0.614552D+00 -0.240984D+01  0.104798D+01  0.998022D+00
                 6             7             8             9            10 
      1   0.104798D+01 -0.157112D+01  0.757668D+00 -0.381207D+01 -0.455048D+01
      2   0.998022D+00  0.757668D+00  0.129960D+01 -0.302876D+01  0.118100D+01
      3  -0.225581D+01 -0.381207D+01 -0.302876D+01 -0.886174D+00 -0.554902D+00
                11            12            13            14            15 
      1   0.118100D+01 -0.554902D+00  0.211459D+01  0.169284D+01  0.134327D+01
      2  -0.269639D+01  0.984202D-01  0.169284D+01  0.191682D+01 -0.654189D+00
      3   0.984202D-01 -0.296423D+01  0.134327D+01 -0.654189D+00  0.729457D+00
                16            17            18            19            20 
      1   0.118060D-01  0.142739D+01 -0.493361D+01 -0.800416D+00  0.367597D+01
      2   0.142739D+01  0.314038D+00  0.106806D+01  0.367597D+01  0.983213D+00
      3  -0.493361D+01  0.106806D+01  0.172767D+01  0.625941D+00 -0.397725D+00
                21            22            23            24            25 
      1   0.625941D+00 -0.521579D+01  0.610012D+00 -0.143471D+00 -0.726953D+00
      2  -0.397725D+00  0.610012D+00 -0.206047D+01  0.107258D+01 -0.113642D+01
      3   0.746515D+00 -0.143471D+00  0.107258D+01 -0.199827D+01 -0.284776D+00
                26            27            28            29            30 
      1  -0.113642D+01 -0.284776D+00  0.131822D+02 -0.398127D+01 -0.315445D+00
      2   0.117409D+01 -0.346253D+01 -0.398127D+01  0.443204D+01  0.164900D+00
      3  -0.346253D+01 -0.264074D+01 -0.315445D+00  0.164900D+00  0.196603D+01
                31            32            33            34            35 
      1  -0.850465D+01 -0.179460D+01 -0.485330D+00 -0.198096D+01 -0.106988D+01
      2  -0.179460D+01 -0.309936D+00  0.310174D-02 -0.106988D+01 -0.473868D+00
      3  -0.485330D+00  0.310174D-02 -0.110215D+00  0.307748D+01 -0.149283D+01
                36            37            38            39            40 
      1   0.307748D+01  0.278443D+01  0.366344D+01  0.828068D+00  0.122015D+02
      2  -0.149283D+01  0.366344D+01  0.626328D+01  0.122769D+01  0.302008D+01
      3  -0.157452D+01  0.828068D+00  0.122769D+01  0.199102D+01  0.982618D-01
                41            42            43            44            45 
      1   0.302008D+01  0.982618D-01  0.270017D+01  0.222867D+00  0.211655D+01
      2   0.481450D+01 -0.426822D+00  0.222867D+00 -0.129683D+01  0.233357D+01
      3  -0.426822D+00  0.104160D+01  0.211655D+01  0.233357D+01  0.549478D+00
                46            47            48            49            50 
      1   0.129217D+01 -0.316053D+01 -0.385352D+00  0.492992D+01 -0.585455D+00
      2  -0.316053D+01 -0.254288D+01  0.508217D+00 -0.585455D+00  0.119450D+01
      3  -0.385352D+00  0.508217D+00  0.158855D+00  0.202317D+00 -0.946594D+00
                51            52            53            54            55 
      1   0.202317D+00  0.460579D+00  0.111679D+01 -0.169749D+01 -0.261240D+01
      2  -0.946594D+00  0.111679D+01 -0.845549D+00  0.336725D+01  0.274665D+01
      3   0.228755D+01 -0.169749D+01  0.336725D+01  0.233834D+01 -0.185488D+00
                56            57            58            59            60 
      1   0.274665D+01 -0.185488D+00  0.405039D+01 -0.437752D+01  0.563331D+00
      2  -0.307325D+01  0.773660D+00 -0.437752D+01 -0.194960D+01  0.187921D+01
      3   0.773660D+00 -0.246329D+01  0.563331D+00  0.187921D+01  0.357926D+01
                61            62            63            64            65 
      1  -0.227080D+01  0.106201D+01 -0.458745D+01 -0.646082D+01 -0.204804D+01
      2   0.106201D+01  0.809460D+00  0.467665D+01 -0.204804D+01  0.180196D+01
      3  -0.458745D+01  0.467665D+01  0.170513D+01 -0.241118D+01  0.182420D+00
                66            67            68            69            70 
      1  -0.241118D+01 -0.183704D+01  0.166590D+01  0.396998D+00 -0.402898D+01
      2   0.182420D+00  0.166590D+01  0.317505D+01 -0.142582D+01  0.269215D-01
      3   0.538393D+00  0.396998D+00 -0.142582D+01 -0.155568D+01 -0.457263D+00
                71            72            73            74            75 
      1   0.269215D-01 -0.457263D+00 -0.208454D+01 -0.321115D+00 -0.227360D+00
      2  -0.362280D+00 -0.241175D+01 -0.321115D+00 -0.181720D+01 -0.188692D+01
      3  -0.241175D+01  0.606911D+01 -0.227360D+00 -0.188692D+01 -0.189503D+01
                76            77            78            79            80 
      1  -0.420457D+00 -0.356218D+01 -0.141846D+01 -0.154754D+01 -0.262189D+01
      2  -0.356218D+01 -0.802894D+01  0.176813D+01 -0.262189D+01  0.195400D+01
      3  -0.141846D+01  0.176813D+01 -0.119458D+01 -0.344310D+01 -0.325404D+01
                81            82            83            84            85 
      1  -0.344310D+01 -0.732262D+01 -0.452846D+01 -0.380625D+00 -0.449818D+01
      2  -0.325404D+01 -0.452846D+01 -0.345056D+01 -0.238162D+00 -0.445407D+01
      3  -0.477900D+01 -0.380625D+00 -0.238162D+00 -0.625312D+00 -0.642687D+00
                86            87            88            89            90 
      1  -0.445407D+01 -0.642687D+00 -0.253251D+00 -0.498876D+00 -0.502526D-01
      2  -0.505516D+01 -0.576560D+00 -0.498876D+00 -0.816915D+00 -0.107073D+00
      3  -0.576560D+00 -0.644408D+00 -0.502526D-01 -0.107073D+00 -0.763563D-01
                91            92            93            94            95 
      1  -0.126518D+02  0.242198D+01  0.156833D+01  0.248100D+01 -0.207274D+01
      2   0.242198D+01 -0.117419D+01 -0.301025D+00 -0.207274D+01  0.102587D+01
      3   0.156833D+01 -0.301025D+00 -0.985513D+00 -0.693851D+00  0.337802D+00
                96            97            98            99           100 
      1  -0.693851D+00  0.167959D+01 -0.674188D+00 -0.189659D+00  0.486550D+00
      2   0.337802D+00 -0.674188D+00  0.290694D+00  0.100971D+00 -0.139050D+01
      3   0.340031D+00 -0.189659D+00  0.100971D+00  0.203289D+00 -0.356784D+00
               101           102           103           104           105 
      1  -0.139050D+01 -0.356784D+00 -0.938132D+00  0.790096D+00  0.145020D+00
      2   0.140641D+01  0.489782D+00  0.790096D+00 -0.985820D+01 -0.218925D+01
      3   0.489782D+00  0.280314D+00  0.145020D+00 -0.218925D+01 -0.134479D+01
               106           107           108           109           110 
      1  -0.374583D+00  0.465068D+00  0.280049D-01 -0.140211D+01  0.189841D+01
      2   0.465068D+00 -0.239146D+01 -0.621657D+00  0.189841D+01 -0.194812D+01
      3   0.280049D-01 -0.621657D+00 -0.408533D+00  0.498751D+00 -0.565523D+00
               111           112           113           114           115 
      1   0.498751D+00  0.166808D+01 -0.286978D+01 -0.640924D+00  0.502552D+00
      2  -0.565523D+00 -0.286978D+01  0.976081D+01  0.203109D+01 -0.856917D+00
      3  -0.395344D+00 -0.640924D+00  0.203109D+01  0.129896D+01 -0.294317D+00
               116           117           118           119           120 
      1  -0.856917D+00 -0.294317D+00  0.190651D+01 -0.145147D+01 -0.151527D+01
      2   0.213574D+01  0.573313D+00 -0.145147D+01  0.107199D+01  0.472611D+00
      3   0.573313D+00  0.402107D+00 -0.151527D+01  0.472611D+00  0.145363D+01
               121           122           123           124           125 
      1  -0.300947D+01  0.234011D+01  0.100561D+01 -0.240935D+01  0.127709D+01
      2   0.234011D+01 -0.325802D+01 -0.237503D+01  0.127709D+01 -0.248322D+01
      3   0.100561D+01 -0.237503D+01 -0.298261D+01  0.268093D+01 -0.307477D+01
               126           127           128           129           130 
      1   0.268093D+01 -0.875721D+01  0.185208D+01  0.830905D+00 -0.139526D+01
      2  -0.307477D+01  0.185208D+01  0.288854D+01 -0.129485D+01  0.317245D+01
      3  -0.557196D+01  0.830905D+00 -0.129485D+01  0.228071D+01 -0.143236D+01
               131           132           133           134           135 
      1   0.317245D+01 -0.143236D+01  0.538370D+01 -0.246754D+01  0.320076D+01
      2   0.367640D+01 -0.150979D+01 -0.246754D+01 -0.182887D+00 -0.377565D+01
      3  -0.150979D+01 -0.337384D+01  0.320076D+01 -0.377565D+01 -0.161786D+01
               136           137           138           139           140 
      1   0.118665D+01  0.622230D+00 -0.108561D+01  0.566103D+00  0.380239D+00
      2   0.622230D+00 -0.162710D+00 -0.228937D+00  0.380239D+00  0.866072D+00
      3  -0.108561D+01 -0.228937D+00  0.226879D+00 -0.538753D+00 -0.134765D+01
               141           142           143           144           145 
      1  -0.538753D+00 -0.146019D+01 -0.642412D+00  0.230954D+01  0.112431D+02
      2  -0.134765D+01 -0.642412D+00 -0.186349D+01  0.256838D+01  0.211286D+01
      3   0.170482D+01  0.230954D+01  0.256838D+01 -0.899649D+01  0.992431D+00
               146           147           148           149           150 
      1   0.211286D+01  0.992431D+00  0.140731D+01  0.145507D+01  0.438190D-01
      2   0.136609D+01 -0.126991D-01  0.145507D+01  0.528301D+00  0.331882D+00
      3  -0.126991D-01  0.109769D+01  0.438190D-01  0.331882D+00  0.315534D+00
               151           152           153           154           155 
      1   0.319226D+01  0.556205D+00  0.160074D+01 -0.123950D+00  0.101725D+01
      2   0.556205D+00  0.686460D+00  0.537987D+00  0.101725D+01 -0.813182D+00
      3   0.160074D+01  0.537987D+00  0.718458D-01 -0.418793D+00  0.220721D+00
               156           157           158           159           160 
      1  -0.418793D+00  0.184866D+01  0.183168D+01 -0.189783D+00 -0.516196D+00
      2   0.220721D+00  0.183168D+01  0.109992D+02 -0.200832D+01 -0.158116D+00
      3   0.109458D+00 -0.189783D+00 -0.200832D+01  0.129625D+01  0.748589D+00
               161           162           163           164           165 
      1  -0.158116D+00  0.748589D+00  0.224579D+01  0.105313D+01  0.163452D+01
      2  -0.342180D+01  0.227158D+01  0.105313D+01  0.852568D+00  0.885253D+00
      3   0.227158D+01 -0.714319D+00  0.163452D+01  0.885253D+00  0.154900D+01
               166           167           168           169           170 
      1   0.653549D+00  0.165695D+01  0.763374D+00  0.389670D+01  0.246308D+01
      2   0.165695D+01  0.283120D+01  0.160764D+01  0.246308D+01  0.312188D+01
      3   0.763374D+00  0.160764D+01  0.122791D+01  0.294567D+01  0.349166D+01
               171           172           173           174           175 
      1   0.294567D+01  0.518148D+00  0.293697D+00  0.662736D+00  0.109748D+01
      2   0.349166D+01  0.293697D+00 -0.644265D+00  0.118154D+00 -0.502479D+00
      3   0.703282D+01  0.662736D+00  0.118154D+00 -0.957175D+00  0.487687D+00
               176           177           178           179           180 
      1  -0.502479D+00  0.487687D+00  0.101477D+01  0.151896D-01  0.368820D+00
      2   0.114969D+01  0.119902D+01  0.151896D-01  0.152401D+01  0.122432D+01
      3   0.119902D+01  0.273012D+01  0.368820D+00  0.122432D+01  0.615116D+01
               181           182           183           184           185 
      1   0.132762D+02 -0.317645D+01  0.862391D+00 -0.128884D+01  0.142802D+01
      2  -0.317645D+01  0.170828D+01 -0.370811D+00  0.142802D+01 -0.127671D+01
      3   0.862391D+00 -0.370811D+00  0.124428D+01  0.867738D-01  0.224572D+00
               186           187           188           189           190 
      1   0.867738D-01 -0.136740D+01  0.477796D+00  0.998753D+00 -0.230482D+00
      2   0.224572D+00  0.477796D+00 -0.370936D+00  0.440506D-01 -0.113202D+01
      3   0.209709D+00  0.998753D+00  0.440506D-01  0.105619D-01  0.350805D-01
               191           192           193           194           195 
      1  -0.113202D+01  0.350805D-01 -0.145637D+01 -0.321210D+00  0.118606D-02
      2  -0.210659D+01  0.769382D+00 -0.321210D+00 -0.795038D+01  0.200695D+01
      3   0.769382D+00 -0.947049D+00  0.118606D-02  0.200695D+01 -0.130100D+01
               196           197           198 
      1  -0.334801D+00  0.258167D+00 -0.325846D+00
      2   0.258167D+00  0.119925D+01 -0.102875D+01
      3  -0.325846D+00 -0.102875D+01  0.100444D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.189328D+01  0.962895D+00 -0.441969D+01  0.265703D+01 -0.678447D+00
      2   0.219950D+01  0.143136D+01  0.484955D+01 -0.216122D+01 -0.274440D+01
      3  -0.571260D+01 -0.101842D+02 -0.752606D+00  0.841838D+01 -0.397198D+01
                 6             7             8             9            10 
      1  -0.891987D+00 -0.764169D+01  0.484882D+01  0.214527D+01  0.607149D+00
      2   0.721184D+01 -0.290825D+00  0.101560D+02  0.360095D+01 -0.702115D+00
      3   0.130934D+01  0.273040D+01  0.300970D+01 -0.446001D+01  0.440978D+01
                11            12            13            14            15 
      1   0.326565D+00  0.214399D+01 -0.176693D+00 -0.258435D+01  0.239637D+01
      2  -0.317656D+00  0.887735D+01 -0.391554D+01  0.697654D+00 -0.278780D+01
      3  -0.923677D+01 -0.237729D+00  0.101612D+02  0.412221D+01 -0.200175D+01
                16            17            18            19            20 
      1   0.444749D+01  0.104381D+02  0.220336D+01  0.110065D+01 -0.145390D+01
      2   0.689351D+01 -0.474943D+01 -0.451225D+01 -0.481665D+01  0.322075D+01
      3   0.351124D+01 -0.120443D+01  0.177224D+01  0.843610D+01 -0.644804D+01
                21            22            23            24            25 
      1   0.305098D+01 -0.640609D+00  0.945438D+00 -0.393595D+01  0.328763D+01
      2  -0.179692D+01  0.122801D+01  0.535591D+00  0.259773D+01 -0.133647D+02
      3  -0.401898D+01  0.668194D+01 -0.684661D+01  0.452002D+00 -0.373232D+01
                26            27            28            29            30 
      1   0.497565D+00 -0.135008D+01  0.196169D+00 -0.215211D-01  0.211181D+01
      2   0.302442D+01  0.365557D+01  0.241402D+01 -0.332739D+01 -0.194091D+01
      3   0.133754D+01 -0.537355D+01 -0.544088D+01  0.114837D+02  0.181944D+01
                31            32            33            34            35 
      1   0.198403D+00 -0.325393D+01 -0.928396D+00  0.352448D+01  0.956025D+01
      2  -0.145519D+01  0.534759D+00  0.234006D+00 -0.141987D+02 -0.705779D+00
      3   0.107437D+02 -0.872036D+01  0.148863D+01 -0.590786D+00 -0.138920D+01
                36            37            38            39            40 
      1   0.876125D+00 -0.185857D+01 -0.158811D+00 -0.193724D+01  0.627093D+00
      2   0.877144D+00 -0.505916D+00  0.260441D+00 -0.193134D+01  0.379857D+01
      3  -0.198203D+01 -0.201616D+01  0.891728D+01  0.216681D+01  0.121668D+02
                41            42            43            44            45 
      1  -0.457967D+00 -0.446908D+00 -0.354978D+01  0.714447D+01  0.132905D+01
      2  -0.261783D+01 -0.150446D+01 -0.137381D+02 -0.924323D+00  0.100329D+00
      3   0.167646D+02  0.127802D+01 -0.944858D+00  0.264889D+01  0.426773D+01
                46            47            48            49            50 
      1   0.682663D+00 -0.119473D+01 -0.949187D+00 -0.469609D+00  0.101485D-01
      2   0.517958D+00  0.192706D+01 -0.107436D+01  0.178782D+01  0.247083D+01
      3  -0.462684D+01 -0.146182D+02 -0.198073D+01  0.138489D+01  0.361916D+01
                51            52            53            54            55 
      1  -0.397278D+01  0.237761D+01  0.121333D+01 -0.966181D+00 -0.191723D+01
      2  -0.591405D+01 -0.103184D+02 -0.813774D+01 -0.351793D+01 -0.349827D+00
      3  -0.167288D+01 -0.167665D+01 -0.176078D+01  0.527711D+01 -0.854456D+00
                56            57            58            59            60 
      1   0.833513D+00 -0.287920D+01  0.402857D+00  0.477228D+01  0.782760D-01
      2   0.268012D+01 -0.103596D+01  0.372757D+01  0.902000D+00  0.669679D+01
      3  -0.299914D+01  0.913834D+00  0.107242D+02  0.124617D+02 -0.549516D+01
                61            62            63            64            65 
      1  -0.598704D+01  0.760436D+01  0.369306D+00  0.449922D+01 -0.229909D+01
      2  -0.146773D+02  0.983695D+01  0.137188D+01 -0.128842D+02 -0.730706D+00
      3   0.226366D+01 -0.555119D+01 -0.502371D+01  0.355012D+00 -0.119232D+02
                66            67            68            69            70 
      1  -0.647422D+00 -0.108213D+01 -0.232614D+01  0.129885D+01  0.963954D+00
      2   0.150389D+01  0.432331D+00 -0.814289D+00 -0.422629D+01 -0.905757D+01
      3  -0.388235D+01 -0.727926D+01 -0.791627D+01  0.545003D+01 -0.675620D+01
                71            72            73            74            75 
      1   0.557800D+01 -0.468472D+01  0.114979D+01  0.502306D+01  0.394873D+01
      2  -0.716813D+01  0.138144D+02  0.669498D+00 -0.172501D+01  0.154362D+00
      3   0.343742D+01  0.550036D+01 -0.481290D+01 -0.293488D+01  0.179048D+01
                76            77            78            79            80 
      1   0.234721D+01 -0.870169D+01  0.605274D+00  0.101700D+02  0.131696D+02
      2  -0.200224D+01  0.278816D+01  0.124496D+00 -0.815550D+01 -0.264003D+01
      3   0.119608D+02  0.424302D+00 -0.778224D+01  0.496298D+00 -0.127187D+02
                81            82            83            84            85 
      1   0.104024D+02  0.208497D+00  0.466137D+00 -0.238258D+01 -0.413560D+00
      2  -0.375561D+01 -0.439437D+00 -0.344540D+00  0.366636D+01  0.908717D+00
      3  -0.544025D+01 -0.188781D+01 -0.555941D+01  0.343370D-01 -0.405718D+01
                86            87            88            89            90 
      1  -0.494757D-01 -0.264866D+01  0.118365D+01  0.142932D+01 -0.137261D+00
      2   0.874888D+00  0.315238D+01 -0.154937D+01 -0.899510D+00  0.140198D+00
      3  -0.903638D+01 -0.731046D+00 -0.102742D+01 -0.151347D+01  0.594414D-01
                91            92            93            94            95 
      1  -0.145367D+00 -0.572354D+00  0.120666D+01  0.859234D-02  0.178698D+00
      2  -0.176656D+01  0.331527D+00  0.596312D+01  0.179355D+01 -0.777079D+00
      3   0.191180D+01 -0.545078D+01 -0.273175D+00 -0.400366D+01  0.292242D+01
                96            97            98            99           100 
      1  -0.712004D+00 -0.862664D+00  0.692710D+00 -0.101370D+00  0.142995D+00
      2  -0.181079D+01 -0.236409D+01  0.444058D+00 -0.573076D+00  0.739749D+00
      3   0.725595D+00 -0.201829D+01  0.150736D+01  0.152888D+00 -0.388502D+01
               101           102           103           104           105 
      1   0.291110D+00  0.108914D+01 -0.269870D+00  0.868242D+00 -0.463211D+01
      2  -0.976184D+00 -0.876987D-01 -0.122952D+01  0.244249D+01  0.681596D+00
      3   0.406034D+01  0.119321D+01  0.633212D+01 -0.126427D+02 -0.291896D+01
               106           107           108           109           110 
      1  -0.320473D+00  0.232492D+01 -0.732890D+00 -0.254242D+00  0.401350D+00
      2  -0.145174D+01  0.750772D+00  0.961829D-01 -0.443293D+00  0.572190D+00
      3   0.164578D+01 -0.357736D+01 -0.530051D+00  0.920942D+00 -0.117119D+01
               111           112           113           114           115 
      1   0.119290D+01  0.775711D-01  0.693487D+00 -0.460444D+01 -0.285397D+00
      2   0.106070D+01  0.168261D+00 -0.320471D+01 -0.282489D+01 -0.912313D+00
      3  -0.399209D+00  0.692269D+00  0.147768D+02  0.298743D+01 -0.181999D+00
               116           117           118           119           120 
      1   0.208946D+01 -0.670025D+00 -0.816283D+00 -0.538428D+00  0.145447D+01
      2  -0.171632D+00 -0.476847D+00 -0.114869D+01  0.379700D+00  0.284327D+01
      3   0.307061D+01  0.329169D+00  0.153275D+01 -0.322640D+01  0.241206D+00
               121           122           123           124           125 
      1   0.183596D+00  0.613844D+00 -0.272105D+01  0.202625D+01  0.960378D+00
      2  -0.259479D+00 -0.285337D+01 -0.525762D+01  0.126565D+01 -0.434082D+01
      3   0.630110D+00  0.383955D+01  0.412348D+01  0.892717D+00  0.494729D+01
               126           127           128           129           130 
      1  -0.384693D+01  0.334138D+01  0.195399D+01  0.314234D+01 -0.171232D+01
      2  -0.845636D+01  0.122777D+02 -0.690911D+01  0.853811D+01 -0.632694D+01
      3   0.420419D+01  0.967514D+01 -0.144244D+02  0.170591D+01 -0.536321D+01
               131           132           133           134           135 
      1   0.421361D+01 -0.117940D+02  0.281070D+01 -0.644593D+01 -0.686280D+01
      2  -0.599559D+01 -0.776934D+01  0.542613D+01 -0.819724D+01 -0.643678D+01
      3  -0.181560D+02  0.748467D+01 -0.875277D-01  0.744429D+01  0.516086D+01
               136           137           138           139           140 
      1   0.125795D+00  0.701515D+00 -0.275664D-01  0.721783D+00  0.166128D-01
      2  -0.808623D+00 -0.945690D-01  0.783971D+00 -0.378808D+00 -0.279631D+01
      3  -0.774207D+00  0.833050D+00 -0.326771D+00  0.271475D+01 -0.131273D+01
               141           142           143           144           145 
      1  -0.132974D+01 -0.147905D+01  0.210624D+01  0.692542D+01 -0.249678D+01
      2   0.358378D+01  0.103063D+01  0.486895D+01 -0.191083D+02  0.952934D+01
      3   0.268393D+01 -0.775663D+00  0.492599D+01 -0.289485D+01  0.706769D+01
               146           147           148           149           150 
      1  -0.805165D+00 -0.156008D+01 -0.844688D+00 -0.532316D+00 -0.138632D+01
      2   0.136319D+01  0.638828D+01  0.109885D+01  0.173317D+01  0.111429D+01
      3  -0.533277D+01  0.113508D+01 -0.957959D+00  0.365163D+00 -0.141568D+01
               151           152           153           154           155 
      1  -0.178070D+01 -0.486713D-01 -0.834100D+00  0.642108D+00 -0.914906D+00
      2   0.465367D+01  0.152305D+01  0.187688D+01  0.114328D+00  0.577697D+00
      3   0.238913D+01 -0.271819D+01  0.291927D+00 -0.166413D+01  0.719060D+00
               156           157           158           159           160 
      1  -0.572042D-01  0.173140D+01  0.618056D+01 -0.586147D+01 -0.193542D+01
      2   0.116122D+01 -0.316933D+00 -0.229985D+01  0.131475D+01  0.117950D+00
      3  -0.160482D+01  0.479665D+01 -0.962293D+01  0.239840D+01 -0.236122D+01
               161           162           163           164           165 
      1  -0.454583D+01  0.248328D+01 -0.338226D+01 -0.104843D+01 -0.368270D+01
      2   0.167944D+01 -0.922654D+00 -0.529404D+00  0.709244D+00  0.253471D+01
      3   0.487948D+01 -0.111605D+01  0.577222D+01 -0.255264D+00  0.242474D+01
               166           167           168           169           170 
      1  -0.122914D+01 -0.225855D+01 -0.307419D+01 -0.670485D+01 -0.488904D+01
      2   0.674384D+00  0.114071D+01  0.148710D+01  0.687654D+00  0.301143D+01
      3  -0.491421D+00 -0.207965D+00 -0.874120D-01  0.647154D+01  0.154399D+01
               171           172           173           174           175 
      1  -0.160046D+02  0.160719D+01 -0.155533D+01 -0.134602D+01 -0.775567D+00
      2   0.693180D+01  0.184738D+01 -0.316092D+00 -0.234984D+01 -0.110905D+01
      3   0.216326D+01 -0.123080D+01  0.976466D+00 -0.874542D+00  0.128627D+01
               176           177           178           179           180 
      1   0.556733D+01  0.476168D+01 -0.244260D+00  0.696206D+01  0.107912D+02
      2   0.387192D+01  0.652407D+01 -0.325156D+01  0.384156D+01  0.144694D+02
      3  -0.300717D+01 -0.365996D+01 -0.719659D+00 -0.428259D+01 -0.380285D+01
               181           182           183           184           185 
      1  -0.941487D-01  0.105480D+01  0.240664D+01  0.100861D+01 -0.615629D+00
      2  -0.840469D+01  0.108618D+01  0.612092D+01  0.137765D+01 -0.105978D+00
      3  -0.137357D+02 -0.322627D+01 -0.112762D+00 -0.115598D+00  0.186035D+01
               186           187           188           189           190 
      1  -0.171227D+00  0.134782D+01  0.107838D+01  0.201910D+00 -0.144543D+01
      2   0.149876D+00  0.139820D+01  0.345320D+00 -0.529043D+00  0.131176D+01
      3  -0.624176D+00  0.402324D+00 -0.273039D+00 -0.194672D+01  0.577044D+01
               191           192           193           194           195 
      1  -0.145226D+01 -0.185874D+01 -0.117174D+01 -0.519556D+01 -0.269053D+01
      2   0.279560D+01 -0.156744D+01  0.215920D+01  0.621723D+01 -0.277746D+01
      3   0.727819D+01 -0.155481D+01  0.707488D+01  0.210770D+02 -0.518036D+01
               196           197           198 
      1  -0.558576D+00  0.954296D+00  0.105705D+01
      2  -0.164388D+01 -0.233948D+01  0.254226D+01
      3   0.695140D-01 -0.376365D+01  0.339090D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.459596D+01 -0.231372D+02 -0.342334D+01  0.278794D+02  0.137676D+01
      2  -0.495531D+00  0.156671D+02 -0.191415D+01 -0.291885D+02 -0.553350D+01
      3   0.509149D+01  0.747007D+01  0.533749D+01  0.130907D+01  0.415675D+01
      4  -0.210130D+02  0.114218D+02  0.520061D+01  0.198163D+01 -0.169680D+02
      5   0.159825D+01  0.337071D+01  0.114201D+02 -0.588996D+01 -0.893402D+01
      6   0.314984D+01  0.245403D+01  0.985693D+01 -0.880286D+01 -0.496852D+01
                 6             7             8             9            10 
      1   0.246619D+00  0.114785D+02  0.410289D+01  0.609584D+01 -0.127224D+02
      2   0.202727D+01 -0.124879D+02 -0.642239D+01 -0.108244D+02  0.706349D+01
      3  -0.227389D+01  0.100941D+01  0.231950D+01  0.472861D+01  0.565893D+01
      4  -0.110271D+02 -0.126053D+01 -0.100590D+02  0.121197D+02  0.664568D+01
      5   0.145350D+02  0.261677D+02  0.149189D+02  0.741447D+01  0.773416D+01
      6   0.304824D+01  0.773943D+01  0.117097D+02 -0.273022D+01 -0.410224D-02
                11            12            13            14            15 
      1   0.638374D+01  0.806737D+01 -0.218914D+02 -0.194456D+02 -0.705296D+01
      2  -0.317470D+01 -0.234497D+01  0.201864D+02  0.194736D+02  0.901711D+01
      3  -0.320904D+01 -0.572240D+01  0.170501D+01 -0.280308D-01 -0.196415D+01
      4   0.236549D+02 -0.765580D+00 -0.214406D+02  0.143978D+02  0.869863D+01
      5  -0.115859D+01  0.186109D+02 -0.123207D+02  0.584142D+01 -0.582372D+01
      6   0.376092D+00 -0.437754D+01  0.739892D+01  0.465508D+01 -0.427646D+01
                16            17            18            19            20 
      1   0.443830D+01 -0.899537D+01  0.115186D+02  0.126242D+02  0.717394D+01
      2   0.221573D+01  0.641889D+01 -0.171646D+02 -0.981066D+01 -0.806091D+01
      3  -0.665403D+01  0.257648D+01  0.564601D+01 -0.281357D+01  0.886968D+00
      4  -0.138331D+02  0.403639D+01 -0.320940D+01  0.103162D+02 -0.225621D+02
      5   0.336495D+02 -0.560485D+01 -0.910953D+01 -0.148625D+01 -0.205872D+01
      6  -0.160055D+01  0.691092D+01 -0.346069D+01 -0.217333D+01  0.216435D+01
                21            22            23            24            25 
      1  -0.185443D+01  0.637041D+01  0.108190D+02  0.544085D+01 -0.174524D+01
      2   0.197153D+01  0.890908D-01 -0.166948D+02 -0.901917D+01  0.178907D+01
      3  -0.117097D+00 -0.645950D+01  0.587581D+01  0.357832D+01 -0.438355D-01
      4  -0.417027D+01  0.171217D+02  0.100894D+02  0.714238D-01  0.106034D+01
      5  -0.588618D+01  0.891480D+00  0.561955D+00  0.376861D+01  0.236315D+01
      6  -0.627145D+01  0.290975D+01 -0.128636D+02  0.580641D+01  0.957487D-02
                26            27            28            29            30 
      1   0.417733D+01 -0.143157D+02 -0.227385D+02  0.834187D+01  0.287082D+01
      2  -0.105618D+02 -0.374567D+00  0.138976D+02 -0.458475D+01  0.248008D+00
      3   0.638447D+01  0.146902D+02  0.884083D+01 -0.375712D+01 -0.311882D+01
      4   0.318218D+01  0.949068D+01 -0.107435D+02  0.956909D+01  0.824742D+00
      5   0.819641D+01  0.794111D+01  0.407317D+01 -0.101403D+01 -0.202125D+01
      6   0.136841D+02  0.530222D+01 -0.231426D+01 -0.382665D+00 -0.266417D+01
                31            32            33            34            35 
      1  -0.368699D+01 -0.457477D+01 -0.514177D+00  0.693271D+01 -0.168033D+01
      2   0.836622D+01  0.105369D+02  0.222889D+01  0.120968D+00  0.239057D+00
      3  -0.467922D+01 -0.596216D+01 -0.171472D+01 -0.705367D+01  0.144127D+01
      4  -0.585053D+01  0.105900D+02  0.154746D+01 -0.421572D+01  0.139793D+01
      5  -0.277413D+01  0.140314D-01 -0.220908D+00  0.399845D+01 -0.994949D+00
      6   0.576903D+01  0.273847D+01  0.153236D+01 -0.150913D+01  0.665120D+01
                36            37            38            39            40 
      1  -0.952334D+01 -0.167313D+02 -0.249823D+02 -0.484324D+01 -0.603866D+01
      2  -0.290430D+01  0.123312D+02  0.179649D+02  0.276953D+01 -0.298604D+01
      3   0.124276D+02  0.440006D+01  0.701736D+01  0.207371D+01  0.902471D+01
      4  -0.321482D+01 -0.651782D+01 -0.295444D+01  0.253797D+01  0.475286D+01
      5   0.616087D+00 -0.109029D+01  0.268561D+01 -0.159716D+01  0.427991D+01
      6  -0.222099D+00  0.637185D+01  0.379976D+01  0.340203D+01 -0.635665D+01
                41            42            43            44            45 
      1  -0.752616D+01  0.350505D+01  0.494023D+00  0.687790D+01 -0.105528D+02
      2   0.820555D+01  0.878131D-01 -0.205719D+01 -0.571511D+01  0.945994D+00
      3  -0.679385D+00 -0.359287D+01  0.156317D+01 -0.116278D+01  0.960677D+01
      4  -0.864158D+01 -0.249709D+01  0.159549D+01 -0.704299D+00 -0.194031D+01
      5  -0.210085D+01 -0.227351D+01  0.444111D+01 -0.284745D+01  0.737262D+00
      6  -0.613557D+00  0.243137D+01  0.876714D+00  0.903576D+01 -0.156338D+01
                46            47            48            49            50 
      1   0.177497D+02  0.160842D+02 -0.162318D+01 -0.173110D+02  0.137236D+02
      2  -0.150580D+02 -0.114040D+02 -0.106137D+01  0.150914D+02 -0.204410D+02
      3  -0.269164D+01 -0.468021D+01  0.268456D+01  0.221961D+01  0.671738D+01
      4   0.724270D+01 -0.175798D+02 -0.605966D+01  0.124172D+02 -0.261320D+01
      5   0.325837D+01 -0.496611D+01 -0.484354D+01  0.805931D+00  0.490796D+01
      6  -0.690303D+01  0.186225D+01  0.713220D+00  0.370786D+01 -0.120877D+02
                51            52            53            54            55 
      1   0.366963D+01 -0.623162D+01 -0.127450D+01 -0.725215D+01  0.203011D+02
      2  -0.780231D+01  0.797924D+01 -0.695669D+01 -0.486570D+01 -0.101247D+02
      3   0.413268D+01 -0.174763D+01  0.823119D+01  0.121178D+02 -0.101764D+02
      4   0.493434D+01 -0.290686D+01  0.103073D+02 -0.128627D+02  0.925408D+01
      5  -0.108702D+02  0.838085D+01 -0.124142D+02 -0.729291D+01 -0.194506D+01
      6   0.654203D+01 -0.430118D+01  0.125679D+02  0.283128D+01  0.287537D+01
                56            57            58            59            60 
      1  -0.540941D+01  0.285936D+01 -0.476146D+01 -0.579095D+01  0.434173D+01
      2   0.298953D+01 -0.170255D+01  0.880949D-01  0.503021D+01 -0.404717D+01
      3   0.241988D+01 -0.115682D+01  0.467336D+01  0.760746D+00 -0.294562D+00
      4  -0.125335D+02  0.291133D+01 -0.235971D+02 -0.644713D+01  0.670530D+01
      5   0.324327D+01 -0.111252D+02  0.483380D+01  0.822834D+01  0.160037D+02
      6  -0.126286D+01  0.811899D+01  0.305258D+01 -0.456265D+01 -0.136984D+02
                61            62            63            64            65 
      1  -0.568579D+01  0.634792D+01  0.211459D+01 -0.361560D+02 -0.129553D+02
      2  -0.412683D+00  0.590631D+00 -0.160738D+01  0.115320D+02  0.945523D+01
      3   0.609848D+01 -0.693855D+01 -0.507209D+00  0.246241D+02  0.350009D+01
      4   0.105378D+02 -0.581457D-01  0.241947D+02 -0.167815D+02  0.125288D+01
      5  -0.234588D+02  0.217458D+02  0.595695D+01 -0.112242D+02  0.136423D+00
      6   0.182357D+02 -0.163484D+02 -0.948069D+01 -0.417960D+01  0.608407D+00
                66            67            68            69            70 
      1  -0.121147D+02 -0.107522D+02  0.672795D+01  0.159422D+00 -0.224967D+02
      2   0.751537D+01  0.981519D+01  0.731480D+00 -0.682262D+01  0.941018D+01
      3   0.459929D+01  0.937011D+00 -0.745943D+01  0.666320D+01  0.130865D+02
      4  -0.327453D+01  0.450113D+01  0.149274D+02 -0.436925D+01 -0.702474D+01
      5   0.293280D+01  0.259698D+01 -0.718487D+01 -0.685788D+01 -0.120567D+01
      6   0.267362D+00 -0.192613D+01 -0.256875D+01 -0.367455D+01 -0.337295D+01
                71            72            73            74            75 
      1  -0.222948D+01  0.725263D+01  0.266240D+01  0.102809D+02  0.876893D+01
      2  -0.925370D+01  0.123560D+02  0.486697D+01 -0.362550D+01 -0.753292D+01
      3   0.114832D+02 -0.196086D+02 -0.752937D+01 -0.665542D+01 -0.123602D+01
      4   0.126254D+01 -0.117324D+02  0.386726D+01  0.148556D+01 -0.279578D+01
      5  -0.107670D+02  0.256855D+02  0.769077D+00 -0.475454D+01 -0.703141D+01
      6  -0.155593D+01  0.180906D+02 -0.317793D+01 -0.863138D+01 -0.771393D+01
                76            77            78            79            80 
      1   0.198028D+02  0.268737D+02 -0.817933D+01  0.142958D+02 -0.766789D+01
      2  -0.172763D+02 -0.402201D+02  0.144923D+02 -0.653068D+01  0.208962D+02
      3  -0.252652D+01  0.133464D+02 -0.631296D+01 -0.776511D+01 -0.132283D+02
      4  -0.222282D+01 -0.107645D+02  0.157188D+01 -0.557119D+01 -0.142335D+01
      5  -0.695524D+01  0.271869D+01 -0.216839D+01 -0.116737D+02 -0.912122D+01
      6  -0.351714D+01  0.131042D+02 -0.642201D+01 -0.162442D+02 -0.183009D+02
                81            82            83            84            85 
      1   0.122570D+02  0.389706D+02  0.205352D+02  0.215879D+01  0.166336D+02
      2  -0.721894D+01 -0.127900D+02 -0.331185D+01 -0.931037D+00  0.160748D+01
      3  -0.503808D+01 -0.261807D+02 -0.172234D+02 -0.122776D+01 -0.182411D+02
      4  -0.107093D+02  0.424524D+02  0.324225D+02  0.241094D+01  0.372484D+02
      5  -0.155844D+02  0.484740D+01  0.268862D+01  0.668107D+01  0.536088D+01
      6  -0.202740D+02  0.640206D+00  0.494197D+00  0.316750D+01  0.232133D+01
                86            87            88            89            90 
      1   0.110668D+02  0.152509D+01 -0.500658D-01  0.279421D+00  0.760080D+00
      2   0.770559D+01 -0.514238D+00  0.133866D+01  0.131127D+01  0.477472D+00
      3  -0.187724D+02 -0.101085D+01 -0.128859D+01 -0.159069D+01 -0.123755D+01
      4   0.385155D+02  0.408152D+01  0.396914D+01  0.427831D+01  0.286805D+01
      5   0.489485D+01  0.501680D+01  0.212397D+01  0.147942D+01  0.604845D+00
      6   0.231000D+01  0.442881D+01  0.141791D+01  0.163575D+01  0.109659D+01
                91            92            93            94            95 
      1   0.920788D+02 -0.164169D+02 -0.976489D+01 -0.151575D+02  0.110133D+02
      2  -0.518045D+02  0.822790D+01  0.668610D+01  0.679689D+01 -0.452973D+01
      3  -0.402743D+02  0.818903D+01  0.307879D+01  0.836056D+01 -0.648353D+01
      4  -0.261096D+02  0.129719D+02  0.287351D+01  0.194178D+02 -0.923921D+01
      5  -0.149387D+02  0.273782D+01  0.107714D+02  0.566544D+01 -0.293522D+01
      6   0.685069D-01 -0.690325D+00 -0.135122D+01 -0.166792D+01  0.743731D+00
                96            97            98            99           100 
      1   0.303024D+01 -0.115648D+02  0.367360D+01  0.379109D+01 -0.398289D+01
      2  -0.218058D+01  0.643982D+01 -0.197511D+01 -0.219118D+01  0.568735D+01
      3  -0.849655D+00  0.512498D+01 -0.169849D+01 -0.159992D+01 -0.170446D+01
      4  -0.276720D+01  0.628032D+01 -0.308429D+01 -0.212235D+01 -0.192321D+00
      5  -0.294799D+01  0.406399D+01 -0.101235D+01 -0.243084D+01 -0.441852D-01
      6   0.204177D+01 -0.722445D+00  0.846448D+00  0.789044D+00  0.219437D+01
               101           102           103           104           105 
      1   0.756485D+01  0.258998D+01  0.405063D+01 -0.388596D+02 -0.914809D+01
      2  -0.777690D+01 -0.173823D+01 -0.413430D+01  0.530916D+02  0.919576D+01
      3   0.212056D+00 -0.851751D+00  0.836625D-01 -0.142319D+02 -0.476670D-01
      4   0.716310D+01  0.113643D+01  0.555315D+01  0.111757D+02  0.294364D+01
      5   0.876127D+00  0.130563D+01  0.975722D+00  0.379226D+01  0.180590D+01
      6  -0.336944D+01 -0.192720D+01 -0.944251D+00  0.162124D+02  0.101742D+02
               106           107           108           109           110 
      1   0.123462D+01 -0.916845D+01 -0.408416D+01  0.201212D+01 -0.249023D+01
      2  -0.121274D+01  0.110381D+02  0.447106D+01  0.334450D+01 -0.347628D+01
      3  -0.218786D-01 -0.186964D+01 -0.386905D+00 -0.535661D+01  0.596651D+01
      4   0.130971D+01  0.196855D+01 -0.743719D+00 -0.122934D+02  0.166883D+02
      5   0.666651D+00  0.332611D+00 -0.124983D+00 -0.289301D+01  0.376827D+01
      6  -0.358610D+00  0.639412D+01  0.410737D+01  0.258652D+01 -0.316916D+01
               111           112           113           114           115 
      1  -0.301837D+00  0.234530D+01 -0.236503D+02 -0.510589D+01  0.181824D+00
      2  -0.382818D+00 -0.955241D+01  0.425582D+02  0.615917D+01 -0.173863D+01
      3   0.684655D+00  0.720711D+01 -0.189079D+02 -0.105328D+01  0.155681D+01
      4   0.400548D+01  0.185828D+02 -0.418163D+02 -0.856791D+01  0.506597D+01
      5   0.339899D+01  0.373344D+01 -0.770194D+01 -0.528103D+01  0.175539D+01
      6  -0.214596D+01 -0.413529D+01  0.134729D+02  0.944217D+01 -0.194638D+01
               116           117           118           119           120 
      1  -0.407605D+01 -0.290043D+01  0.421245D+01 -0.197071D+01 -0.333080D+01
      2   0.713262D+01  0.375970D+01 -0.368102D+01  0.113975D+01  0.282367D+01
      3  -0.305656D+01 -0.859267D+00 -0.531431D+00  0.830963D+00  0.507129D+00
      4  -0.101829D+02 -0.306453D+01 -0.817965D+01  0.953353D+01  0.482055D+01
      5  -0.261796D+01 -0.181817D+01 -0.858496D+01  0.424995D+01  0.116499D+02
      6   0.563686D+01  0.393225D+01  0.584342D+01 -0.277546D+01 -0.439448D+01
               121           122           123           124           125 
      1   0.767604D+00 -0.624402D+01 -0.578152D+01 -0.435709D+00 -0.583315D+01
      2  -0.953690D+00  0.606182D+01  0.323416D+01  0.370463D+01  0.328494D+00
      3   0.186086D+00  0.182194D+00  0.254735D+01 -0.326892D+01  0.550466D+01
      4   0.138872D+02 -0.145335D+02 -0.100218D+02  0.795711D+01 -0.105737D+02
      5   0.611257D+01 -0.100741D+02 -0.126771D+02  0.162516D+02 -0.129403D+02
      6  -0.597779D+01  0.132989D+02  0.152767D+02 -0.964772D+01  0.148212D+02
               126           127           128           129           130 
      1  -0.990971D+01 -0.563360D+02  0.231444D+02 -0.443081D+01  0.128174D+02
      2  -0.585189D+01  0.217880D+02 -0.196468D+02  0.579520D+00 -0.104940D+02
      3   0.157616D+02  0.345480D+02 -0.349760D+01  0.385129D+01 -0.232340D+01
      4  -0.133773D+02  0.294704D+02  0.636736D+01 -0.514749D+01  0.122700D+02
      5  -0.233052D+02 -0.593864D+01 -0.174207D+01  0.113267D+02 -0.523829D+01
      6   0.202501D+02 -0.242683D+01  0.820752D+01 -0.612526D+01  0.671257D+01
               131           132           133           134           135 
      1   0.242352D+02 -0.115293D+01  0.356905D+01 -0.270507D+01  0.851783D+01
      2  -0.260421D+02  0.160924D+02 -0.325150D+01  0.126223D+02  0.826293D+01
      3   0.180690D+01 -0.149394D+02 -0.317545D+00 -0.991723D+01 -0.167808D+02
      4   0.596093D+01 -0.472652D+01 -0.152996D+02  0.835050D+00 -0.231232D+02
      5  -0.640430D+00 -0.155096D+02  0.185282D+02 -0.192504D+02 -0.325773D+01
      6   0.953877D+01  0.517773D+01 -0.126490D+02  0.775386D+01 -0.449668D+01
               136           137           138           139           140 
      1   0.490734D+01  0.374945D+01 -0.438929D+01  0.159576D+01 -0.528624D+01
      2  -0.508411D+01 -0.252541D+01  0.268667D+01 -0.147846D+01  0.119970D+01
      3   0.176766D+00 -0.122404D+01  0.170262D+01 -0.117306D+00  0.408654D+01
      4   0.445522D+01  0.153864D+01 -0.325457D+01  0.447147D+01  0.383723D+01
      5  -0.565250D+01 -0.269879D+01  0.705985D+01 -0.358112D+01 -0.569352D+01
      6  -0.302903D+01 -0.521074D+00  0.101273D+00 -0.238105D+01 -0.655498D+01
               141           142           143           144           145 
      1   0.365167D+01 -0.302706D+01  0.467573D+01 -0.141891D+02  0.690587D+02
      2  -0.159849D+00  0.791005D+01  0.223511D+01 -0.204272D+02 -0.333563D+02
      3  -0.349182D+01 -0.488298D+01 -0.691083D+01  0.346162D+02 -0.357024D+02
      4  -0.662577D+01 -0.617421D+01 -0.942939D+01  0.125943D+02  0.270226D+02
      5   0.717627D+01  0.161019D+02  0.114353D+02 -0.390911D+02  0.205416D+01
      6   0.113531D+02  0.643166D+01  0.107844D+02 -0.231478D+02  0.951692D+00
               146           147           148           149           150 
      1   0.103727D+02  0.635863D+01  0.578803D+01  0.649654D+01  0.160050D+00
      2  -0.310198D+01 -0.227846D+01 -0.102520D+00 -0.709934D+00  0.127448D+01
      3  -0.727069D+01 -0.408017D+01 -0.568551D+01 -0.578660D+01 -0.143452D+01
      4   0.146361D+02  0.165748D+01  0.134843D+02  0.560928D+01  0.209324D+01
      5  -0.344409D+00  0.910371D+01 -0.795868D-01  0.172833D+01  0.160180D+01
      6  -0.247553D+00  0.241390D+01 -0.330869D+00  0.934390D+00  0.214264D+01
               151           152           153           154           155 
      1   0.160761D+02  0.222537D+01  0.626944D+01 -0.872586D+00  0.525696D+01
      2  -0.753243D+01  0.116587D+01 -0.547373D+01  0.397623D+01 -0.593883D+01
      3  -0.854362D+01 -0.339123D+01 -0.795711D+00 -0.310365D+01  0.681867D+00
      4   0.711716D+01  0.474079D+01  0.461030D+01  0.150496D+01  0.845287D+01
      5   0.108933D+02  0.308425D+01  0.235939D+01 -0.644970D+00 -0.705957D+00
      6   0.297740D+01  0.197231D+01 -0.282075D+00 -0.294696D+01  0.128932D+01
               156           157           158           159           160 
      1  -0.226061D+01 -0.407266D+01 -0.412402D+02  0.771617D+01 -0.126560D+01
      2   0.167826D+01  0.772183D+01  0.669260D+02 -0.120924D+02 -0.131000D+01
      3   0.582349D+00 -0.364917D+01 -0.256857D+02  0.437624D+01  0.257560D+01
      4  -0.189851D+01  0.987990D+01  0.187661D+02 -0.317097D+01 -0.361479D+01
      5   0.296865D+01 -0.127024D+01 -0.284707D+01  0.270554D+01  0.375227D+01
      6   0.132498D+00 -0.224041D+01 -0.161966D+02  0.104854D+02  0.444116D+01
               161           162           163           164           165 
      1   0.133689D+02 -0.905028D+01  0.201269D+01 -0.118621D+01 -0.360635D-01
      2  -0.202388D+02  0.960058D+01 -0.377271D+01  0.122173D+01  0.165721D+00
      3   0.686989D+01 -0.550296D+00  0.176002D+01 -0.355236D-01 -0.129658D+00
      4  -0.591710D+01  0.428727D+01  0.710531D+01  0.697407D+01  0.648577D+01
      5   0.430846D+01 -0.393929D+00  0.732022D+01  0.485043D+01  0.105116D+02
      6   0.160981D+02 -0.660548D+01  0.699440D+01  0.468345D+01  0.709632D+01
               166           167           168           169           170 
      1  -0.447531D+01 -0.112450D+02 -0.520693D+01 -0.439140D+01 -0.110275D+02
      2   0.573288D+01  0.129350D+02  0.434050D+01  0.185932D-01  0.624963D+01
      3  -0.125757D+01 -0.169003D+01  0.866424D+00  0.437281D+01  0.477787D+01
      4   0.534315D+01  0.772347D+01  0.546194D+01  0.117724D+02  0.104937D+02
      5   0.277354D+01  0.538257D+01  0.423098D+01  0.137308D+02  0.116980D+02
      6   0.463286D+01  0.806606D+01  0.100285D+02  0.136589D+02  0.202611D+02
               171           172           173           174           175 
      1  -0.179160D+02  0.385140D+01 -0.105917D+01  0.578638D+01  0.301866D+01
      2   0.983796D+00 -0.422889D+01  0.193998D+01 -0.373949D+00 -0.201199D+01
      3   0.169322D+02  0.377491D+00 -0.880808D+00 -0.541243D+01 -0.100667D+01
      4   0.115853D+02 -0.566004D+00 -0.161403D+01 -0.751144D+00 -0.195712D+01
      5   0.215090D+02  0.268667D+01  0.123472D+01  0.522867D+00  0.451861D+01
      6   0.311832D+02  0.266480D+00 -0.168356D+01  0.206255D+01 -0.855156D+00
               176           177           178           179           180 
      1  -0.522941D+01 -0.291724D+01  0.490638D+01 -0.165580D+01 -0.138087D+02
      2  -0.154331D+00 -0.919911D+01 -0.329998D+01 -0.717057D+01 -0.181879D+02
      3   0.538374D+01  0.121164D+02 -0.160641D+01  0.882637D+01  0.319966D+02
      4   0.658114D+01  0.576777D+01 -0.174265D+01  0.740889D+01  0.784069D+01
      5   0.411160D+01  0.116337D+02  0.657839D+01  0.491099D+01  0.237662D+02
      6   0.195774D+01  0.854245D+00 -0.368909D+00  0.366425D+01 -0.543366D+01
               181           182           183           184           185 
      1   0.803561D+02 -0.143590D+02  0.170490D+01 -0.545103D+01  0.454248D+01
      2  -0.366134D+02  0.314396D+01 -0.305745D+01 -0.100764D+01  0.183658D+01
      3  -0.437427D+02  0.112150D+02  0.135254D+01  0.645867D+01 -0.637907D+01
      4  -0.436759D+02  0.198880D+02 -0.276798D+01  0.149977D+02 -0.991517D+01
      5   0.186464D+02 -0.469553D+01  0.116129D+02 -0.105483D+01  0.176649D+01
      6  -0.316460D+01  0.280137D+01 -0.478924D+01  0.125962D+01 -0.200819D+01
               186           187           188           189           190 
      1   0.173641D+00 -0.575924D+01  0.880350D+00  0.574115D+01 -0.669210D+00
      2  -0.127608D+01  0.649683D+00 -0.217419D+00 -0.487307D+01  0.433599D+01
      3   0.110244D+01  0.510956D+01 -0.662931D+00 -0.868086D+00 -0.366678D+01
      4   0.981725D+00  0.415831D+01 -0.199698D+01 -0.198336D+01 -0.167977D+01
      5   0.673471D-01  0.934743D+01 -0.671710D+00  0.715065D+00 -0.906413D+00
      6   0.142446D+01 -0.337468D+01  0.131777D+01  0.534695D+00 -0.162298D+01
               191           192           193           194           195 
      1  -0.128096D+02  0.405968D+01 -0.852748D+01 -0.314065D+02  0.798268D+01
      2   0.138217D+02 -0.223233D+01  0.580249D+01  0.452800D+02 -0.812382D+01
      3  -0.101211D+01 -0.182735D+01  0.272500D+01 -0.138736D+02  0.141139D+00
      4  -0.134175D+01  0.120502D+01  0.615242D+01 -0.256514D+02  0.655352D+01
      5  -0.518856D+00 -0.205708D+01 -0.338422D+01  0.416353D+01 -0.391532D+01
      6  -0.600725D+01  0.442789D+01 -0.990225D+00 -0.194238D+02  0.111966D+02
               196           197           198 
      1   0.620166D+00  0.624800D+01 -0.769283D+01
      2  -0.168757D+00 -0.517282D+01  0.423049D+01
      3  -0.451409D+00 -0.107519D+01  0.346234D+01
      4   0.819616D+00  0.351749D+01 -0.150751D+01
      5   0.538139D+00 -0.228352D+01  0.274181D+01
      6   0.189140D+01  0.989459D+01 -0.523633D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.233181D+00      0.592687D+00      0.197699D+01
   x          0.228258D+00      0.580174D+00      0.193525D+01
   y          0.459183D-01      0.116713D+00      0.389312D+00
   z         -0.127765D-01     -0.324747D-01     -0.108324D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.110897D+03      0.164333D+02      0.182845D+02
   aniso      0.538526D+02      0.798013D+01      0.887910D+01
   xx         0.137577D+03      0.203868D+02      0.226833D+02
   yx         0.142876D+01      0.211720D+00      0.235570D+00
   yy         0.117520D+03      0.174147D+02      0.193764D+02
   zx        -0.229571D+01     -0.340189D+00     -0.378512D+00
   zy         0.520228D+01      0.770898D+00      0.857740D+00
   zz         0.775956D+02      0.114985D+02      0.127938D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.119248D+03      0.176708D+02      0.196614D+02
   aniso      0.551748D+02      0.817606D+01      0.909710D+01
   xx         0.146995D+03      0.217824D+02      0.242361D+02
   yx         0.158416D+01      0.234749D+00      0.261193D+00
   yy         0.125435D+03      0.185876D+02      0.206815D+02
   zx        -0.236123D+01     -0.349898D+00     -0.389314D+00
   zy         0.518434D+01      0.768239D+00      0.854782D+00
   zz         0.853153D+02      0.126424D+02      0.140666D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.69428482         -0.93176003         -4.61669748
     6         -0.38397713          1.46501030         -4.73108323
     6          1.20186395         -2.05098395         -2.28967646
     6          0.63306044         -0.74419689         -0.08913120
     6         -0.44627950          1.65877247         -0.20412285
     6         -0.96412160          2.77134603         -2.52130509
     6          0.94046084         -1.59816551          2.62169109
     6          0.70705085          0.91829068          4.10019644
     6         -0.91515494          2.66912889          2.42024556
     1          1.14767162         -1.92552912         -6.34643646
     1         -0.76370092          2.32188632         -6.54954512
     1          2.04372014         -3.91608937         -2.20669257
     1         -1.79666858          4.63957027         -2.61871280
     1          2.79417138         -2.45652136          2.92630418
     6         -1.09305642         -3.52456920          3.36336559
     1          2.58142434          1.74927020          4.32925302
     1         -0.08796024          0.64985813          5.98238464
     1         -0.40266212          4.65629631          2.62052585
     1         -2.92297333          2.52044927          2.89735470
     1         -2.98113451         -2.72227648          3.13378915
     1         -0.87388623         -4.10473850          5.33168010
     1         -0.98278719         -5.20940403          2.17920099

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.233181D+00      0.592687D+00      0.197699D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.233181D+00      0.592687D+00      0.197699D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.110897D+03      0.164333D+02      0.182845D+02
   aniso      0.538526D+02      0.798013D+01      0.887910D+01
   xx         0.812907D+02      0.120460D+02      0.134030D+02
   yx        -0.127382D+02     -0.188761D+01     -0.210025D+01
   yy         0.114098D+03      0.169076D+02      0.188122D+02
   zx        -0.144736D+01     -0.214477D+00     -0.238638D+00
   zy        -0.320912D+01     -0.475542D+00     -0.529112D+00
   zz         0.137304D+03      0.203463D+02      0.226383D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.119248D+03      0.176708D+02      0.196614D+02
   aniso      0.551748D+02      0.817606D+01      0.909710D+01
   xx         0.890108D+02      0.131900D+02      0.146759D+02
   yx        -0.127644D+02     -0.189149D+01     -0.210456D+01
   yy         0.122009D+03      0.180798D+02      0.201165D+02
   zx        -0.144355D+01     -0.213912D+00     -0.238009D+00
   zy        -0.335805D+01     -0.497612D+00     -0.553668D+00
   zz         0.146726D+03      0.217425D+02      0.241918D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-34\Freq\RM11\Gen\C10H12\PIERPA\08-Jul-2021\0\\#P M11/
 Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=Rea
 d Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,-2.295974,-1.028853
 ,-0.128687\C,-2.606029,0.291875,0.183416\C,-0.973478,-1.40911,-0.34245
 7\C,0.029531,-0.455263,-0.247794\C,-0.281499,0.868664,0.064239\C,-1.59
 8106,1.247679,0.283733\C,1.52367,-0.639314,-0.39664\C,2.019669,0.81696
 4,-0.580832\C,0.972315,1.705463,0.12574\H,-3.088043,-1.762337,-0.20983
 3\H,-3.637708,0.578196,0.343549\H,-0.735344,-2.437795,-0.586593\H,-1.8
 44116,2.275439,0.52314\H,1.76059,-1.24321,-1.276257\C,2.130571,-1.3201
 58,0.83597\H,2.034988,1.060247,-1.645001\H,3.029412,0.962676,-0.195614
 \H,0.857874,2.679448,-0.352616\H,1.250132,1.896413,1.167459\H,1.938821
 ,-0.733184,1.737056\H,3.211182,-1.433117,0.725825\H,1.698191,-2.310454
 ,0.988755\\Version=ES64L-G16RevA.03\State=1-A\HF=-388.4836191\RMSD=4.8
 86e-09\RMSF=5.248e-06\ZeroPoint=0.1921718\Thermal=0.2004692\Dipole=0.2
 282579,0.0459183,-0.0127765\DipoleDeriv=-0.0311354,0.0369779,-0.002779
 6,0.1002657,0.011351,0.0271671,0.0049391,0.0276339,-0.1422782,0.020420
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 00000131\\\@


 NATURE REVEALS EVERY SECRET ONCE.
                    - RALPH WALDO EMERSON
 Job cpu time:       0 days 11 hours 51 minutes 27.8 seconds.
 Elapsed time:       0 days  0 hours 44 minutes 32.3 seconds.
 File lengths (MBytes):  RWF=    368 Int=      0 D2E=      0 Chk=     12 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 21:28:06 2021.
